cif
stringlengths 674
4.09k
| formula
stringlengths 1
20
| spacegroup
stringlengths 2
10
| spacegroup_number
int64 1
230
| crystal_system
stringclasses 7
values | pointgroup
stringlengths 1
5
| density
float64 91.6
41.4k
| is_longer_than_allowed
bool 2
classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Hf2ReRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62407173
_cell_length_b 4.62407173
_cell_length_c 4.62407173
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2ReRh
_chemical_formula_sum 'Hf2 Re1 Rh1'
_cell_volume 69.91312109
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 4.90456872 4.90456872 4.90456872 1
Hf Hf1 1 1.63485624 1.63485624 1.63485624 1
Re Re2 1 3.26971248 3.26971248 3.26971248 1
Rh Rh3 1 0.00000000 -0.00000000 0.00000000 1
[/CIF]
| Hf2ReRh | Fm-3m | 225 | cubic | m-3m | 15,345.643568 | false |
[CIF]
data_VFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.50000000
_cell_length_b 2.50000000
_cell_length_c 12.24744900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VFe2
_chemical_formula_sum 'V2 Fe4'
_cell_volume 66.29126207
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.25000000 0.72168784 9.18558350 1
Fe Fe1 1 1.25000000 0.72168784 1.02061450 1
Fe Fe2 1 -0.00000000 1.44337567 11.22683450 1
Fe Fe3 1 -0.00000000 1.44337567 3.06186550 1
V V4 1 1.25000000 0.72168784 5.10310450 1
V V5 1 -0.00000000 1.44337567 7.14434450 1
[/CIF]
| Fe4V2 | P-3m1 | 164 | trigonal | -3m | 8,147.558248 | false |
[CIF]
data_AlCdPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27915313
_cell_length_b 5.27915313
_cell_length_c 5.27915313
_cell_angle_alpha 144.40658477
_cell_angle_beta 142.89935600
_cell_angle_gamma 52.35662325
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCdPd
_chemical_formula_sum 'Al1 Cd1 Pd1'
_cell_volume 51.35431563
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 9.23462504 1
Cd Cd1 1 0.00000000 -0.00000000 6.32939195 1
Pd Pd2 1 0.00000000 -0.00000000 3.38656810 1
[/CIF]
| AlCdPd | Imm2 | 44 | orthorhombic | mm2 | 7,948.335372 | false |
[CIF]
data_TiCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.84379899
_cell_length_b 5.84379899
_cell_length_c 7.32213963
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiCd2
_chemical_formula_sum 'Ti3 Cd6'
_cell_volume 216.55049252
_cell_formula_units_Z 3
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.27146974 2.20225018 5.92979267 1
Cd Cd1 1 3.30085952 0.00000000 5.92979267 1
Cd Cd2 1 -1.65042976 2.85862819 5.92979267 1
Cd Cd3 1 -1.27146974 2.20225018 1.39234695 1
Cd Cd4 1 2.54293947 0.00000000 1.39234695 1
Cd Cd5 1 1.65042976 2.85862819 1.39234695 1
Ti Ti6 1 0.00000000 0.00000000 0.00000000 1
Ti Ti7 1 -0.00000000 3.37391892 3.66106981 1
Ti Ti8 1 2.92189949 1.68695946 3.66106981 1
[/CIF]
| Cd6Ti3 | P-31m | 162 | trigonal | -3m | 6,273.273499 | false |
[CIF]
data_YZrIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28659102
_cell_length_b 3.28659102
_cell_length_c 8.93364579
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YZrIn2
_chemical_formula_sum 'Y1 Zr1 In2'
_cell_volume 96.49838782
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 1.64329551 1.64329551 6.59844894 1
In In1 1 1.64329551 1.64329551 2.33519685 1
Y Y2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 0.00000000 0.00000000 4.46682289 1
[/CIF]
| In2YZr | P4/mmm | 123 | tetragonal | 4/mmm | 7,051.228704 | false |
[CIF]
data_KSrIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03068745
_cell_length_b 6.03068745
_cell_length_c 7.46681565
_cell_angle_alpha 101.84980159
_cell_angle_beta 101.84980159
_cell_angle_gamma 37.83327384
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrIn2
_chemical_formula_sum 'K1 Sr1 In2'
_cell_volume 162.59524465
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 1.68438916 0.00000000 4.93900445 1
In In1 1 8.10474063 0.00000000 2.34977190 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 4.89456489 0.00000000 3.64438817 1
[/CIF]
| In2KSr | C2/m | 12 | monoclinic | 2/m | 3,639.345283 | false |
[CIF]
data_MnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00140900
_cell_length_b 3.00140900
_cell_length_c 3.00140900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnPd
_chemical_formula_sum 'Mn1 Pd1'
_cell_volume 27.03806087
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 1.50070450 1.50070450 1.50070450 1
[/CIF]
| MnPd | Pm-3m | 221 | cubic | m-3m | 9,909.783794 | false |
[CIF]
data_CaCdAs4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73828772
_cell_length_b 5.73828772
_cell_length_c 5.73828772
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaCdAs4
_chemical_formula_sum 'Ca1 Cd1 As4'
_cell_volume 133.60784613
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 3.06568710 3.06568710 5.04947722 1
As As1 1 3.06568710 5.04947722 3.06568710 1
As As2 1 5.04947722 3.06568710 3.06568710 1
As As3 1 5.04947722 5.04947722 5.04947722 1
Ca Ca4 1 0.00000000 0.00000000 0.00000000 1
Cd Cd5 1 2.02879108 2.02879108 2.02879108 1
[/CIF]
| As4CaCd | F-43m | 216 | cubic | -43m | 5,619.841487 | false |
[CIF]
data_BeRh2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22186017
_cell_length_b 4.22186017
_cell_length_c 3.44374576
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeRh2Pb
_chemical_formula_sum 'Be1 Rh2 Pb1'
_cell_volume 61.38168012
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 2.11093008 2.11093008 0.00000000 1
Rh Rh2 1 2.11093008 0.00000000 1.72187288 1
Rh Rh3 1 0.00000000 2.11093008 1.72187288 1
[/CIF]
| BePbRh2 | P4/mmm | 123 | tetragonal | 4/mmm | 11,416.867841 | false |
[CIF]
data_GeAs2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78835844
_cell_length_b 4.78835844
_cell_length_c 4.78835844
_cell_angle_alpha 127.03891705
_cell_angle_beta 127.03891705
_cell_angle_gamma 78.18720257
_symmetry_Int_Tables_number 1
_chemical_formula_structural GeAs2Ir
_chemical_formula_sum 'Ge1 As2 Ir1'
_cell_volume 67.76571527
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 -0.00000000 0.00000000 3.71632560 1
As As1 1 0.00000000 2.13509960 1.85816280 1
Ge Ge2 1 0.00000000 -0.00000000 -0.00000000 1
Ir Ir3 1 2.13509960 0.00000000 1.85816280 1
[/CIF]
| As2GeIr | I-4m2 | 119 | tetragonal | -42m | 10,161.862532 | false |
[CIF]
data_Ba2AlB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42791738
_cell_length_b 3.42791738
_cell_length_c 9.74460710
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2AlB
_chemical_formula_sum 'Ba2 Al1 B1'
_cell_volume 114.50515134
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.71395869 1.71395869 5.80286286 1
B B1 1 0.00000000 0.00000000 6.43966007 1
Ba Ba2 1 1.71395869 1.71395869 8.92697814 1
Ba Ba3 1 0.00000000 0.00000000 3.19201668 1
[/CIF]
| AlBBa2 | P4mm | 99 | tetragonal | 4mm | 4,531.05976 | false |
[CIF]
data_KLa2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39765860
_cell_length_b 5.39765860
_cell_length_c 5.39765860
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KLa2W
_chemical_formula_sum 'K1 La2 W1'
_cell_volume 111.19909148
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
La La1 1 5.72508150 5.72508150 5.72508150 1
La La2 1 1.90836050 1.90836050 1.90836050 1
W W3 1 3.81672100 3.81672100 3.81672100 1
[/CIF]
| KLa2W | Fm-3m | 225 | cubic | m-3m | 7,477.702061 | false |
[CIF]
data_MgPd2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.20161101
_cell_length_b 4.46774912
_cell_length_c 4.81008590
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.52742110
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgPd2Se
_chemical_formula_sum 'Mg1 Pd2 Se1'
_cell_volume 68.67309319
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Pd Pd1 1 2.25456979 2.23387456 1.21760977 1
Pd Pd2 1 0.65109478 2.23387456 3.58336326 1
Se Se3 1 1.45283229 0.00000000 2.40048651 1
[/CIF]
| MgPd2Se | P2/m | 10 | monoclinic | 2/m | 7,643.527869 | false |
[CIF]
data_NbAlTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12984785
_cell_length_b 5.12984785
_cell_length_c 5.12984785
_cell_angle_alpha 139.44822331
_cell_angle_beta 139.44822331
_cell_angle_gamma 58.69205899
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbAlTe
_chemical_formula_sum 'Nb1 Al1 Te1'
_cell_volume 56.52460386
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 -0.00000000 8.88354337 1
Nb Nb1 1 0.00000000 -0.00000000 2.98954533 1
Te Te2 1 0.00000000 -0.00000000 6.01316899 1
[/CIF]
| AlNbTe | I4mm | 107 | tetragonal | 4mm | 7,270.521672 | false |
[CIF]
data_Nb2TcPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74838247
_cell_length_b 4.13803892
_cell_length_c 5.85576283
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2TcPt
_chemical_formula_sum 'Nb2 Tc1 Pt1'
_cell_volume 66.59708489
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 1.37419124 2.06901946 5.74862614 1
Nb Nb1 1 0.00000000 0.00000000 1.59373884 1
Pt Pt2 1 1.37419124 2.06901946 2.87636569 1
Tc Tc3 1 0.00000000 0.00000000 4.42067634 1
[/CIF]
| Nb2PtTc | Pmm2 | 25 | orthorhombic | mm2 | 11,963.459972 | false |
[CIF]
data_CdNiHgBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96456611
_cell_length_b 4.96456611
_cell_length_c 4.96456611
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdNiHgBi
_chemical_formula_sum 'Cd1 Ni1 Hg1 Bi1'
_cell_volume 86.52246748
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 5.26571754 5.26571754 5.26571754 1
Cd Cd1 1 3.51047836 3.51047836 3.51047836 1
Hg Hg2 1 1.75523918 1.75523918 1.75523918 1
Ni Ni3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiCdHgNi | F-43m | 216 | cubic | -43m | 11,144.309894 | false |
[CIF]
data_Be2CdAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74724469
_cell_length_b 4.74724469
_cell_length_c 4.74724469
_cell_angle_alpha 129.84547449
_cell_angle_beta 129.84547449
_cell_angle_gamma 73.65392011
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2CdAs
_chemical_formula_sum 'Be2 Cd1 As1'
_cell_volume 61.53506523
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Be Be1 1 2.01207230 -0.00000000 1.89996462 1
Be Be2 1 -0.00000000 2.01207230 1.89996462 1
Cd Cd3 1 0.00000000 -0.00000000 3.79992924 1
[/CIF]
| AsBe2Cd | I4/mmm | 139 | tetragonal | 4/mmm | 5,541.608838 | false |
[CIF]
data_FePdCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09477951
_cell_length_b 3.09477951
_cell_length_c 6.96859549
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FePdCl2
_chemical_formula_sum 'Fe1 Pd1 Cl2'
_cell_volume 66.74283978
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 1.54738975 1.54738975 5.45329865 1
Cl Cl1 1 1.54738975 1.54738975 1.51529684 1
Fe Fe2 1 0.00000000 0.00000000 0.00000000 1
Pd Pd3 1 0.00000000 0.00000000 3.48429775 1
[/CIF]
| Cl2FePd | P4/mmm | 123 | tetragonal | 4/mmm | 5,801.214871 | false |
[CIF]
data_ScCuSiOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33418801
_cell_length_b 4.33418801
_cell_length_c 4.33418801
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScCuSiOs
_chemical_formula_sum 'Sc1 Cu1 Si1 Os1'
_cell_volume 57.57159232
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 1.53236687 1.53236687 1.53236687 1
Os Os1 1 4.59710060 4.59710060 4.59710060 1
Cu Cu2 1 3.06473373 3.06473373 3.06473373 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CuOsScSi | F-43m | 216 | cubic | -43m | 9,426.403863 | false |
[CIF]
data_Y2AlZn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11153894
_cell_length_b 5.11153894
_cell_length_c 5.11153894
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2AlZn
_chemical_formula_sum 'Y2 Al1 Zn1'
_cell_volume 94.43653072
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Y Y1 1 3.61440385 3.61440385 3.61440385 1
Y Y2 1 1.80720192 1.80720192 1.80720192 1
Zn Zn3 1 5.42160577 5.42160578 5.42160578 1
[/CIF]
| AlY2Zn | F-43m | 216 | cubic | -43m | 4,750.632134 | false |
[CIF]
data_TiGe2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.71524104
_cell_length_b 3.71524104
_cell_length_c 5.63412250
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiGe2Sb
_chemical_formula_sum 'Ti1 Ge2 Sb1'
_cell_volume 77.76788314
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 1.85762052 1.85762052 0.01406226 1
Ge Ge1 1 0.00000000 0.00000000 1.28264438 1
Sb Sb2 1 1.85762052 1.85762052 2.88408043 1
Ti Ti3 1 0.00000000 0.00000000 4.27039667 1
[/CIF]
| Ge2SbTi | P4mm | 99 | tetragonal | 4mm | 6,724.053139 | false |
[CIF]
data_KMn2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.61734913
_cell_length_b 4.73668892
_cell_length_c 6.66788050
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KMn2Br
_chemical_formula_sum 'K1 Mn2 Br1'
_cell_volume 114.24918176
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 1.80867457 2.36834446 0.00000000 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 0.00000000 2.36834446 3.33394025 1
Mn Mn3 1 1.80867457 0.00000000 3.33394025 1
[/CIF]
| BrKMn2 | Pmmm | 47 | orthorhombic | mmm | 3,326.601576 | false |
[CIF]
data_Mn2RePb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46140890
_cell_length_b 4.46140890
_cell_length_c 5.21057117
_cell_angle_alpha 101.49249755
_cell_angle_beta 101.49249755
_cell_angle_gamma 39.05882816
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn2RePb
_chemical_formula_sum 'Mn2 Re1 Pb1'
_cell_volume 63.87387916
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 1.34090038 0.00000000 4.19109893 1
Mn Mn1 1 5.96706489 -0.00000000 0.90170967 1
Pb Pb2 1 3.65398263 0.00000000 2.54640430 1
Re Re3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mn2PbRe | C2/m | 12 | monoclinic | 2/m | 13,083.927945 | false |
[CIF]
data_MnVFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82358305
_cell_length_b 3.82358305
_cell_length_c 3.82358305
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnVFe
_chemical_formula_sum 'Mn1 V1 Fe1'
_cell_volume 39.52724848
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 2.70368150 2.70368150 2.70368150 1
Mn Mn1 1 1.35184075 1.35184075 1.35184075 1
V V2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| FeMnV | F-43m | 216 | cubic | -43m | 6,794.045509 | false |
[CIF]
data_AlCo2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76484442
_cell_length_b 2.76484442
_cell_length_c 6.98626545
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlCo2Ag
_chemical_formula_sum 'Al1 Co2 Ag1'
_cell_volume 53.40556076
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.38242221 1.38242221 3.44833400 1
Al Al1 1 0.00000000 0.00000000 5.51311050 1
Co Co2 1 1.38242221 1.38242221 0.04900111 1
Co Co3 1 0.00000000 0.00000000 1.46895257 1
[/CIF]
| AgAlCo2 | P4mm | 99 | tetragonal | 4mm | 7,857.702425 | false |
[CIF]
data_CuW2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45734354
_cell_length_b 4.45734354
_cell_length_c 4.45734354
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuW2Au
_chemical_formula_sum 'Cu1 W2 Au1'
_cell_volume 62.62003757
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.15181784 3.15181784 3.15181784 1
Cu Cu1 1 0.00000000 0.00000000 0.00000000 1
W W2 1 1.57590892 1.57590892 1.57590892 1
W W3 1 4.72772676 4.72772676 4.72772676 1
[/CIF]
| AuCuW2 | Fm-3m | 225 | cubic | m-3m | 16,658.21904 | false |
[CIF]
data_Pb3Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.04472802
_cell_length_b 7.04472802
_cell_length_c 5.63526089
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Pb3Cl
_chemical_formula_sum 'Pb6 Cl2'
_cell_volume 242.19943191
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 3.52236401 2.03363781 4.22644567 1
Cl Cl1 1 0.00000000 4.06727562 1.40881522 1
Pb Pb2 1 1.79955784 5.10625082 4.22644567 1
Pb Pb3 1 -1.79955784 5.10625082 4.22644567 1
Pb Pb4 1 -0.00000000 1.98932521 4.22644567 1
Pb Pb5 1 1.72280617 0.99466260 1.40881522 1
Pb Pb6 1 5.32192185 0.99466260 1.40881522 1
Pb Pb7 1 3.52236401 4.11158822 1.40881522 1
[/CIF]
| Cl2Pb6 | P6_3/mmc | 194 | hexagonal | 6/mmm | 9,009.617955 | false |
[CIF]
data_CaTlPb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.16449163
_cell_length_b 6.16449163
_cell_length_c 6.16449163
_cell_angle_alpha 131.78795227
_cell_angle_beta 131.78795227
_cell_angle_gamma 70.56414009
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTlPb2
_chemical_formula_sum 'Ca1 Tl1 Pb2'
_cell_volume 127.59658370
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 2.51774131 -0.00000000 2.51609392 1
Pb Pb2 1 0.00000000 -0.00000000 5.03218784 1
Tl Tl3 1 -0.00000000 2.51774131 2.51609392 1
[/CIF]
| CaPb2Tl | I-4m2 | 119 | tetragonal | -42m | 8,574.40612 | false |
[CIF]
data_ZrCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04729292
_cell_length_b 8.04729292
_cell_length_c 8.04729292
_cell_angle_alpha 153.17061530
_cell_angle_beta 153.17061530
_cell_angle_gamma 38.30623431
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrCo3
_chemical_formula_sum 'Zr2 Co6'
_cell_volume 105.98493800
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 0.00000000 1.86695059 -0.00000000 1
Co Co1 1 0.00000000 -0.00000000 1.91544502 1
Co Co2 1 0.00000000 -0.00000000 13.28822748 1
Co Co3 1 -0.00000000 1.86695059 3.80091813 1
Co Co4 1 1.86695059 -0.00000000 3.80091812 1
Co Co5 1 1.86695059 -0.00000000 -0.00000000 1
Zr Zr6 1 0.00000000 -0.00000000 5.74917206 1
Zr Zr7 1 0.00000000 0.00000000 9.45450044 1
[/CIF]
| Co6Zr2 | I4/mmm | 139 | tetragonal | 4/mmm | 8,398.620447 | false |
[CIF]
data_Fe6ReRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.19235389
_cell_length_b 6.19235389
_cell_length_c 10.11433200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.49542372
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe6ReRu
_chemical_formula_sum 'Fe24 Re4 Ru4'
_cell_volume 365.60116810
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 3.57408921 -2.53660145 7.59917274 1
Fe Fe1 1 1.78703227 -1.27822083 8.84427948 1
Fe Fe2 1 5.36114615 1.27822083 8.84427948 1
Fe Fe3 1 3.57408921 2.53660145 7.59917274 1
Fe Fe4 1 5.36114615 -1.27822083 8.84427948 1
Fe Fe5 1 1.78703227 1.27822083 8.84427948 1
Fe Fe6 1 0.00000000 0.00000000 5.05716600 1
Fe Fe7 1 5.36540499 1.25544753 6.32571604 1
Fe Fe8 1 5.36540499 -1.25544753 6.32571604 1
Fe Fe9 1 3.57408921 -2.53660145 2.51515926 1
Fe Fe10 1 1.78277343 -1.25544753 3.78861596 1
Fe Fe11 1 5.36540499 1.25544753 3.78861596 1
Fe Fe12 1 3.57408921 2.53660145 2.51515926 1
Fe Fe13 1 5.36540499 -1.25544753 3.78861596 1
Fe Fe14 1 1.78277343 1.25544753 3.78861596 1
Fe Fe15 1 0.00000000 0.00000000 0.00000000 1
Fe Fe16 1 5.36114615 1.27822083 1.27005252 1
Fe Fe17 1 5.36114615 -1.27822083 1.27005252 1
Fe Fe18 1 3.57408921 -0.00000000 5.05716600 1
Fe Fe19 1 1.78277343 1.25544753 6.32571604 1
Fe Fe20 1 1.78277343 -1.25544753 6.32571604 1
Fe Fe21 1 3.57408921 -0.00000000 0.00000000 1
Fe Fe22 1 1.78703227 1.27822083 1.27005252 1
Fe Fe23 1 1.78703227 -1.27822083 1.27005252 1
Re Re24 1 3.57408921 -2.51620468 5.05716600 1
Re Re25 1 3.57408921 2.51620468 5.05716600 1
Re Re26 1 3.57408921 -0.00000000 7.57619187 1
Re Re27 1 3.57408921 -0.00000000 2.53814013 1
Ru Ru28 1 3.57408921 -2.50771210 0.00000000 1
Ru Ru29 1 3.57408921 2.50771210 0.00000000 1
Ru Ru30 1 0.00000000 0.00000000 7.58106809 1
Ru Ru31 1 0.00000000 0.00000000 2.53326391 1
[/CIF]
| Fe24Re4Ru4 | Cmmm | 65 | orthorhombic | mmm | 11,306.654318 | false |
[CIF]
data_NaRuPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31282076
_cell_length_b 3.31282076
_cell_length_c 7.20522806
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaRuPb
_chemical_formula_sum 'Na1 Ru1 Pb1'
_cell_volume 68.48165419
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na Na0 1 0.00000000 0.00000000 7.06512889 1
Pb Pb1 1 1.65641038 0.95632898 2.67270903 1
Ru Ru2 1 0.00000000 1.91265796 4.67261821 1
[/CIF]
| NaPbRu | P3m1 | 156 | trigonal | 3m | 8,032.367135 | false |
[CIF]
data_SrRe2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.63900599
_cell_length_b 4.63900599
_cell_length_c 4.63900599
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrRe2Si
_chemical_formula_sum 'Sr1 Re2 Si1'
_cell_volume 70.59270126
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re Re0 1 3.28027259 3.28027259 3.28027259 1
Re Re1 1 4.92040889 4.92040889 4.92040889 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
Sr Sr3 1 1.64013630 1.64013630 1.64013629 1
[/CIF]
| Re2SiSr | F-43m | 216 | cubic | -43m | 11,481.944797 | false |
[CIF]
data_SnBBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11328732
_cell_length_b 5.11328732
_cell_length_c 5.11328732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnBBr2
_chemical_formula_sum 'Sn1 B1 Br2'
_cell_volume 94.53346860
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Br Br1 1 3.61564014 3.61564014 3.61564014 1
Br Br2 1 5.42346021 5.42346021 5.42346021 1
Sn Sn3 1 1.80782007 1.80782007 1.80782007 1
[/CIF]
| BBr2Sn | F-43m | 216 | cubic | -43m | 5,082.243513 | false |
[CIF]
data_ScTaBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84906516
_cell_length_b 4.84906516
_cell_length_c 4.84906516
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTaBi
_chemical_formula_sum 'Sc1 Ta1 Bi1'
_cell_volume 80.62302026
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 3.42880686 3.42880686 3.42880686 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 5.14321029 5.14321029 5.14321029 1
[/CIF]
| BiScTa | F-43m | 216 | cubic | -43m | 8,957.022299 | false |
[CIF]
data_YbCdSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26290210
_cell_length_b 5.26290210
_cell_length_c 5.26290210
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YbCdSn2
_chemical_formula_sum 'Yb1 Cd1 Sn2'
_cell_volume 103.07678805
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 0.00000000 0.00000000 0.00000000 1
Sn Sn1 1 1.86071688 1.86071688 1.86071688 1
Sn Sn2 1 5.58215065 5.58215065 5.58215065 1
Yb Yb3 1 3.72143377 3.72143377 3.72143377 1
[/CIF]
| CdSn2Yb | Fm-3m | 225 | cubic | m-3m | 8,423.535369 | false |
[CIF]
data_SbIrCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.50994609
_cell_length_b 6.50994609
_cell_length_c 6.50994609
_cell_angle_alpha 151.43692601
_cell_angle_beta 151.43692601
_cell_angle_gamma 40.83615323
_symmetry_Int_Tables_number 1
_chemical_formula_structural SbIrCl
_chemical_formula_sum 'Sb1 Ir1 Cl1'
_cell_volume 62.93657198
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 -0.00000000 11.87605162 1
Ir Ir1 1 0.00000000 -0.00000000 3.97777465 1
Sb Sb2 1 0.00000000 0.00000000 8.54992974 1
[/CIF]
| ClIrSb | I4mm | 107 | tetragonal | 4mm | 9,219.478039 | false |
[CIF]
data_Ba2AgW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.65203950
_cell_length_b 3.65203950
_cell_length_c 9.78858515
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2AgW
_chemical_formula_sum 'Ba2 Ag1 W1'
_cell_volume 130.55420226
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 0.00000000 0.00000000 6.66598929 1
Ba Ba1 1 1.82601975 1.82601975 8.95880287 1
Ba Ba2 1 0.00000000 0.00000000 3.22360398 1
W W3 1 1.82601975 1.82601975 5.62306674 1
[/CIF]
| AgBa2W | P4mm | 99 | tetragonal | 4mm | 7,203.648314 | false |
[CIF]
data_KNaLaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49188218
_cell_length_b 5.49188218
_cell_length_c 5.49188218
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KNaLaTc
_chemical_formula_sum 'K1 Na1 La1 Tc1'
_cell_volume 117.12473909
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 3.88334713 3.88334713 3.88334713 1
La La1 1 1.94167357 1.94167356 1.94167356 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 5.82502070 5.82502070 5.82502070 1
[/CIF]
| KLaNaTc | F-43m | 216 | cubic | -43m | 4,251.836435 | false |
[CIF]
data_SrNbAgIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.77994429
_cell_length_b 4.77994429
_cell_length_c 4.77994429
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrNbAgIr
_chemical_formula_sum 'Sr1 Nb1 Ag1 Ir1'
_cell_volume 77.22421577
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.68996551 1.68996551 1.68996551 1
Ir Ir1 1 3.37993102 3.37993102 3.37993102 1
Nb Nb2 1 5.06989653 5.06989653 5.06989653 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgIrNbSr | F-43m | 216 | cubic | -43m | 10,334.508373 | false |
[CIF]
data_MgV2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14429966
_cell_length_b 3.14429966
_cell_length_c 6.37599369
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgV2Mo
_chemical_formula_sum 'Mg1 V2 Mo1'
_cell_volume 63.03702898
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Mo Mo1 1 0.00000000 0.00000000 3.18799684 1
V V2 1 1.57214983 1.57214983 4.54270499 1
V V3 1 1.57214983 1.57214983 1.83328870 1
[/CIF]
| MgMoV2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,851.884813 | false |
[CIF]
data_NbCrCdBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91462265
_cell_length_b 4.91462265
_cell_length_c 4.91462265
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCrCdBi
_chemical_formula_sum 'Nb1 Cr1 Cd1 Bi1'
_cell_volume 83.93740427
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 1.73758150 1.73758150 1.73758150 1
Cr Cr1 1 0.00000000 0.00000000 0.00000000 1
Bi Bi2 1 5.21274450 5.21274450 5.21274450 1
Cd Cd3 1 3.47516300 3.47516300 3.47516300 1
[/CIF]
| BiCdCrNb | F-43m | 216 | cubic | -43m | 9,224.721815 | false |
[CIF]
data_CdPd2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27272784
_cell_length_b 3.27272784
_cell_length_c 6.81796110
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdPd2Cl
_chemical_formula_sum 'Cd1 Pd2 Cl1'
_cell_volume 73.02545991
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.63636392 1.63636392 3.21544161 1
Cl Cl1 1 0.00000000 0.00000000 5.20717770 1
Pd Pd2 1 1.63636392 1.63636392 0.14895820 1
Pd Pd3 1 0.00000000 0.00000000 1.65536407 1
[/CIF]
| CdClPd2 | P4mm | 99 | tetragonal | 4mm | 8,202.113129 | false |
[CIF]
data_Te2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77930508
_cell_length_b 7.04661490
_cell_length_c 4.33005975
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Te2Au
_chemical_formula_sum 'Te4 Au2'
_cell_volume 176.33967975
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 0.00000000 1
Au Au1 1 2.88965254 3.52330745 2.16502988 1
Te Te2 1 1.11842817 4.34923900 0.00000000 1
Te Te3 1 4.66087691 2.69737590 0.00000000 1
Te Te4 1 4.00808071 6.22068335 2.16502988 1
Te Te5 1 1.77122437 0.82593155 2.16502988 1
[/CIF]
| Au2Te4 | Pnnm | 58 | orthorhombic | mmm | 8,515.840037 | false |
[CIF]
data_Sc3CdSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16864673
_cell_length_b 5.16864673
_cell_length_c 5.16864673
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc3CdSi
_chemical_formula_sum 'Sc3 Cd1 Si1'
_cell_volume 138.07992715
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 2.58432336 0.00000000 2.58432336 1
Sc Sc1 1 2.58432336 2.58432336 0.00000000 1
Sc Sc2 1 0.00000000 2.58432336 2.58432336 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
Cd Cd4 1 2.58432336 2.58432336 2.58432336 1
[/CIF]
| CdSc3Si | Pm-3m | 221 | cubic | m-3m | 3,311.510086 | false |
[CIF]
data_Hf2VC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79880166
_cell_length_b 4.79880166
_cell_length_c 4.79880166
_cell_angle_alpha 130.98026871
_cell_angle_beta 130.98026871
_cell_angle_gamma 71.84442980
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2VC
_chemical_formula_sum 'Hf2 V1 C1'
_cell_volume 61.60639839
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 1.99078249 0.00000000 1.94306894 1
Hf Hf2 1 -0.00000000 1.99078249 1.94306894 1
V V3 1 0.00000000 -0.00000000 3.88613787 1
[/CIF]
| CHf2V | I4/mmm | 139 | tetragonal | 4/mmm | 11,318.853912 | false |
[CIF]
data_Ga2BiSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25229884
_cell_length_b 5.25229884
_cell_length_c 5.25229884
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ga2BiSb
_chemical_formula_sum 'Ga2 Bi1 Sb1'
_cell_volume 102.45503072
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.85696807 1.85696807 1.85696807 1
Ga Ga1 1 5.57090420 5.57090420 5.57090420 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Sb Sb3 1 3.71393613 3.71393613 3.71393613 1
[/CIF]
| BiGa2Sb | F-43m | 216 | cubic | -43m | 7,620.542206 | false |
[CIF]
data_CsNp2Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12996292
_cell_length_b 5.12996292
_cell_length_c 5.12996292
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsNp2Ni
_chemical_formula_sum 'Cs1 Np2 Ni1'
_cell_volume 95.46137397
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cs Cs0 1 3.62743157 3.62743157 3.62743157 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Np Np2 1 5.44114736 5.44114736 5.44114736 1
Np Np3 1 1.81371578 1.81371578 1.81371578 1
[/CIF]
| CsNiNp2 | Fm-3m | 225 | cubic | m-3m | 11,578.011611 | false |
[CIF]
data_CaMnAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84714951
_cell_length_b 4.84714951
_cell_length_c 4.84714951
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaMnAu2
_chemical_formula_sum 'Ca1 Mn1 Au2'
_cell_volume 80.52750630
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.71372615 1.71372615 1.71372615 1
Au Au1 1 5.14117844 5.14117844 5.14117844 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 3.42745229 3.42745229 3.42745229 1
[/CIF]
| Au2CaMn | Fm-3m | 225 | cubic | m-3m | 10,082.507919 | false |
[CIF]
data_MnAl2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14398823
_cell_length_b 5.14398823
_cell_length_c 3.19509754
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.09681278
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnAl2Pb
_chemical_formula_sum 'Mn1 Al2 Pb1'
_cell_volume 78.33443334
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.43643889 -2.13349409 1.59754877 1
Al Al1 1 1.43643889 2.13349410 1.59754877 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 2.87287777 0.00000000 0.00000000 1
[/CIF]
| Al2MnPb | Cmmm | 65 | orthorhombic | mmm | 6,700.734786 | false |
[CIF]
data_Zr2TiMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01617427
_cell_length_b 5.01617427
_cell_length_c 5.67520192
_cell_angle_alpha 90.07862644
_cell_angle_beta 90.07862644
_cell_angle_gamma 33.24892332
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2TiMo
_chemical_formula_sum 'Zr2 Ti1 Mo1'
_cell_volume 78.29365014
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 4.80243690 -0.00000000 2.83759805 1
Ti Ti1 1 0.00000000 0.00000000 0.00000000 1
Zr Zr2 1 2.43944309 0.00000000 1.42451525 1
Zr Zr3 1 7.16543071 -0.00000000 4.25068085 1
[/CIF]
| MoTiZr2 | C2/m | 12 | monoclinic | 2/m | 6,920.004151 | false |
[CIF]
data_TaTlGaCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67116493
_cell_length_b 4.67116493
_cell_length_c 4.67116493
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaTlGaCu
_chemical_formula_sum 'Ta1 Tl1 Ga1 Cu1'
_cell_volume 72.07100995
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1
Ga Ga1 1 3.30301240 3.30301240 3.30301240 1
Ta Ta2 1 1.65150620 1.65150620 1.65150620 1
Tl Tl3 1 4.95451860 4.95451860 4.95451860 1
[/CIF]
| CuGaTaTl | F-43m | 216 | cubic | -43m | 11,948.713629 | false |
[CIF]
data_MnGeP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.00723487
_cell_length_b 4.00723487
_cell_length_c 5.16624814
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MnGeP
_chemical_formula_sum 'Mn2 Ge2 P2'
_cell_volume 82.95925773
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 2.00361743 0.00000000 1.56804822 1
Ge Ge1 1 0.00000000 2.00361743 3.59819992 1
Mn Mn2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 2.00361743 2.00361743 0.00000000 1
P P4 1 2.00361743 0.00000000 3.97054103 1
P P5 1 0.00000000 2.00361743 1.19570711 1
[/CIF]
| Ge2Mn2P2 | P4/nmm | 129 | tetragonal | 4/mmm | 6,347.247476 | false |
[CIF]
data_PmMnO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88222853
_cell_length_b 5.88222853
_cell_length_c 5.88222853
_cell_angle_alpha 56.04319839
_cell_angle_beta 56.04319839
_cell_angle_gamma 56.04319839
_symmetry_Int_Tables_number 1
_chemical_formula_structural PmMnO3
_chemical_formula_sum 'Pm2 Mn2 O6'
_cell_volume 130.72664433
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 -0.00000000 0.00000000 9.70084992 1
Mn Mn1 1 -0.00000000 0.00000000 5.12354019 1
O O2 1 -0.63141440 -1.70365887 8.73557592 1
O O3 1 -1.15970466 1.39865035 8.73557592 1
O O4 1 1.79111906 0.30500853 8.73557592 1
O O5 1 -1.79111906 -0.30500853 6.08881419 1
O O6 1 1.15970466 -1.39865035 6.08881419 1
O O7 1 0.63141440 1.70365887 6.08881419 1
Pm Pm8 1 -0.00000000 0.00000000 12.90784152 1
Pm Pm9 1 0.00000000 0.00000000 1.91654859 1
[/CIF]
| Mn2O6Pm2 | R-3 | 148 | trigonal | -3 | 6,298.759178 | false |
[CIF]
data_Ag2CO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35736500
_cell_length_b 9.78172500
_cell_length_c 5.03154313
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.18543981
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2CO3
_chemical_formula_sum 'Ag4 C2 O6'
_cell_volume 163.94229875
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 2.05161704 4.20989793 3.98567010 1
Ag Ag1 1 0.67639696 9.10076043 1.00635790 1
Ag Ag2 1 0.67639696 5.57182707 1.00635790 1
Ag Ag3 1 2.05161704 0.68096457 3.98567010 1
C C4 1 0.46080164 2.44543125 1.41092183 1
C C5 1 2.26721236 7.33629375 3.58110617 1
O O6 1 2.02391228 8.45757289 2.97878804 1
O O7 1 0.70410172 3.56671039 2.01323996 1
O O8 1 3.31831054 2.44543125 0.19875759 1
O O9 1 -0.59029654 7.33629375 4.79327041 1
O O10 1 2.02391228 6.21501461 2.97878804 1
O O11 1 0.70410172 1.32415211 2.01323996 1
[/CIF]
| C2Ag4O6 | P2_1/m | 11 | monoclinic | 2/m | 5,585.939036 | false |
[CIF]
data_MgTlHgOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82602596
_cell_length_b 4.82602596
_cell_length_c 4.82602596
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgTlHgOs
_chemical_formula_sum 'Mg1 Tl1 Hg1 Os1'
_cell_volume 79.47928699
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hg Hg0 1 3.41251568 3.41251568 3.41251568 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Os Os2 1 5.11877352 5.11877352 5.11877352 1
Tl Tl3 1 1.70625784 1.70625784 1.70625784 1
[/CIF]
| HgMgOsTl | F-43m | 216 | cubic | -43m | 12,943.217953 | false |
[CIF]
data_NdAl3(PbO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.52073700
_cell_length_b 9.52073700
_cell_length_c 9.52073700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NdAl3(PbO4)2
_chemical_formula_sum 'Nd4 Al12 Pb8 O32'
_cell_volume 863.00180733
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 4.76036850 2.38018425 1
Al Al1 1 4.76036850 0.00000000 2.38018425 1
Al Al2 1 0.00000000 2.38018425 4.76036850 1
Al Al3 1 0.00000000 7.14055275 4.76036850 1
Al Al4 1 2.38018425 0.00000000 4.76036850 1
Al Al5 1 7.14055275 0.00000000 4.76036850 1
Al Al6 1 0.00000000 4.76036850 7.14055275 1
Al Al7 1 4.76036850 0.00000000 7.14055275 1
Al Al8 1 4.76036850 2.38018425 0.00000000 1
Al Al9 1 2.38018425 4.76036850 0.00000000 1
Al Al10 1 7.14055275 4.76036850 0.00000000 1
Al Al11 1 4.76036850 7.14055275 0.00000000 1
Nd Nd12 1 2.38018425 2.38018425 2.38018425 1
Nd Nd13 1 7.14055275 7.14055275 2.38018425 1
Nd Nd14 1 7.14055275 2.38018425 7.14055275 1
Nd Nd15 1 2.38018425 7.14055275 7.14055275 1
O O16 1 0.11710773 3.25925427 3.25925427 1
O O17 1 9.40362927 6.26148273 3.25925427 1
O O18 1 6.26148273 9.40362927 3.25925427 1
O O19 1 3.25925427 0.11710773 3.25925427 1
O O20 1 3.72152445 3.72152445 3.72152445 1
O O21 1 5.79921255 5.79921255 3.72152445 1
O O22 1 8.01962277 8.01962277 4.64326077 1
O O23 1 1.50111423 1.50111423 4.64326077 1
O O24 1 1.50111423 8.01962277 4.87747623 1
O O25 1 8.01962277 1.50111423 4.87747623 1
O O26 1 5.79921255 3.72152445 5.79921255 1
O O27 1 3.72152445 5.79921255 5.79921255 1
O O28 1 9.40362927 3.25925427 6.26148273 1
O O29 1 0.11710773 6.26148273 6.26148273 1
O O30 1 3.25925427 9.40362927 6.26148273 1
O O31 1 6.26148273 0.11710773 6.26148273 1
O O32 1 8.01962277 4.64326077 8.01962277 1
O O33 1 1.50111423 4.87747623 8.01962277 1
O O34 1 4.64326077 8.01962277 8.01962277 1
O O35 1 4.87747623 1.50111423 8.01962277 1
O O36 1 1.03884405 8.48189295 8.48189295 1
O O37 1 8.48189295 1.03884405 8.48189295 1
O O38 1 6.26148273 3.25925427 9.40362927 1
O O39 1 3.25925427 6.26148273 9.40362927 1
O O40 1 3.25925427 3.25925427 0.11710773 1
O O41 1 6.26148273 6.26148273 0.11710773 1
O O42 1 8.48189295 8.48189295 1.03884405 1
O O43 1 1.03884405 1.03884405 1.03884405 1
O O44 1 1.50111423 4.64326077 1.50111423 1
O O45 1 8.01962277 4.87747623 1.50111423 1
O O46 1 4.87747623 8.01962277 1.50111423 1
O O47 1 4.64326077 1.50111423 1.50111423 1
Pb Pb48 1 6.04027345 3.48046355 3.48046355 1
Pb Pb49 1 3.48046355 6.04027345 3.48046355 1
Pb Pb50 1 3.48046355 3.48046355 6.04027345 1
Pb Pb51 1 6.04027345 6.04027345 6.04027345 1
Pb Pb52 1 8.24083205 8.24083205 8.24083205 1
Pb Pb53 1 1.27990495 1.27990495 8.24083205 1
Pb Pb54 1 1.27990495 8.24083205 1.27990495 1
Pb Pb55 1 8.24083205 1.27990495 1.27990495 1
[/CIF]
| Al12Nd4O32Pb8 | Pn-3m | 224 | cubic | m-3m | 5,907.749352 | true |
[CIF]
data_KSrMnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18489695
_cell_length_b 5.18489695
_cell_length_c 5.18489695
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSrMnRh
_chemical_formula_sum 'K1 Sr1 Mn1 Rh1'
_cell_volume 98.56106524
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Mn Mn1 1 3.66627579 3.66627579 3.66627579 1
Rh Rh2 1 1.83313789 1.83313790 1.83313790 1
Sr Sr3 1 5.49941368 5.49941368 5.49941368 1
[/CIF]
| KMnRhSr | F-43m | 216 | cubic | -43m | 4,794.246687 | false |
[CIF]
data_NbCuTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45999397
_cell_length_b 4.45999397
_cell_length_c 4.45999397
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCuTe
_chemical_formula_sum 'Nb1 Cu1 Te1'
_cell_volume 62.73180975
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 3.15369198 3.15369198 3.15369198 1
Te Te2 1 1.57684599 1.57684599 1.57684599 1
[/CIF]
| CuNbTe | F-43m | 216 | cubic | -43m | 7,518.993567 | false |
[CIF]
data_CaSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.17222123
_cell_length_b 10.17222123
_cell_length_c 3.65513623
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 159.81498333
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaSc
_chemical_formula_sum 'Ca2 Sc2'
_cell_volume 130.50305296
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 1.78255967 -8.35324455 2.74135217 1
Ca Ca1 1 1.78255967 8.35324455 0.91378406 1
Sc Sc2 1 1.78255967 -4.11611976 2.74135217 1
Sc Sc3 1 1.78255967 4.11611976 0.91378406 1
[/CIF]
| Ca2Sc2 | Cmcm | 63 | orthorhombic | mmm | 2,163.966737 | false |
[CIF]
data_YMg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.30812877
_cell_length_b 7.27348587
_cell_length_c 3.35312679
_cell_angle_alpha 77.28231520
_cell_angle_beta 76.13011501
_cell_angle_gamma 26.58756979
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMg2
_chemical_formula_sum 'Y1 Mg2'
_cell_volume 77.44000717
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 2.31714371 2.42369641 4.50209623 1
Mg Mg1 1 2.31714371 2.42369641 9.28694896 1
Y Y2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Mg2Y | Fmmm | 69 | orthorhombic | mmm | 2,949.183116 | false |
[CIF]
data_NaAlBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53858408
_cell_length_b 5.53858408
_cell_length_c 5.53858408
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAlBi3
_chemical_formula_sum 'Na1 Al1 Bi3'
_cell_volume 169.90112677
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na Na0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 0.00000000 2.76929204 0.00000000 1
Bi Bi2 1 0.00000000 0.00000000 2.76929204 1
Bi Bi3 1 2.76929204 0.00000000 0.00000000 1
Al Al4 1 2.76929204 2.76929204 2.76929204 1
[/CIF]
| AlBi3Na | Pm-3m | 221 | cubic | m-3m | 6,615.845848 | false |
[CIF]
data_HfSn2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.90928074
_cell_length_b 3.90928074
_cell_length_c 5.87826123
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfSn2As
_chemical_formula_sum 'Hf1 Sn2 As1'
_cell_volume 89.83438538
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 0.00000000 0.00000000 2.93913061 1
Sn Sn2 1 1.95464037 1.95464037 4.40921168 1
Sn Sn3 1 1.95464037 1.95464037 1.46904955 1
[/CIF]
| AsHfSn2 | P4/mmm | 123 | tetragonal | 4/mmm | 9,072.759398 | false |
[CIF]
data_ScAlW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83235372
_cell_length_b 4.48427096
_cell_length_c 5.55109672
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.08361106
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScAlW2
_chemical_formula_sum 'Sc1 Al1 W2'
_cell_volume 68.94254826
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.98441384 0.00000000 2.65535370 1
Sc Sc1 1 -0.16328171 2.24213548 4.09169233 1
W W2 1 2.63855008 0.00000000 0.09450543 1
W W3 1 1.87811163 2.24213548 1.30060145 1
[/CIF]
| AlScW2 | Pm | 6 | monoclinic | m | 10,588.554812 | false |
[CIF]
data_K2TaPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28849090
_cell_length_b 4.74694658
_cell_length_c 10.11140839
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.72464978
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2TaPb
_chemical_formula_sum 'K2 Ta1 Pb1'
_cell_volume 156.01558960
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 1.72052422 2.37347329 9.35729542 1
K K1 1 1.22810954 0.00000000 3.09457397 1
Pb Pb2 1 -0.89470033 2.37347329 5.99837080 1
Ta Ta3 1 0.68864872 0.00000000 6.53577594 1
[/CIF]
| K2PbTa | Pm | 6 | monoclinic | m | 4,963.499029 | false |
[CIF]
data_Fe2NiTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59248117
_cell_length_b 4.59248117
_cell_length_c 4.05544274
_cell_angle_alpha 110.82939957
_cell_angle_beta 110.82939957
_cell_angle_gamma 45.25409012
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2NiTe
_chemical_formula_sum 'Fe2 Ni1 Te1'
_cell_volume 56.05973248
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 6.91581805 -0.00000000 3.62507865 1
Fe Fe1 1 0.92872621 -0.00000000 2.90344208 1
Ni Ni2 1 3.47702193 -0.00000000 1.80884457 1
Te Te3 1 5.96760777 -0.00000000 1.01871212 1
[/CIF]
| Fe2NiTe | Cm | 8 | monoclinic | m | 8,826.532968 | false |
[CIF]
data_SmB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39853826
_cell_length_b 6.39853826
_cell_length_c 6.39853826
_cell_angle_alpha 146.38016639
_cell_angle_beta 146.38016639
_cell_angle_gamma 48.28243212
_symmetry_Int_Tables_number 1
_chemical_formula_structural SmB2
_chemical_formula_sum 'Sm2 B4'
_cell_volume 79.97299121
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 1.85044118 0.00000000 3.80320636 1
B B1 1 0.00000000 0.00000000 4.95517877 1
B B2 1 1.85044118 0.00000000 2.03571706 1
B B3 1 -0.00000000 0.00000000 6.72266807 1
Sm Sm4 1 0.00000000 1.85044118 2.91946171 1
Sm Sm5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| B4Sm2 | I4_1/amd | 141 | tetragonal | 4/mmm | 7,141.981948 | false |
[CIF]
data_Ti2ReBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.47110846
_cell_length_b 3.47110846
_cell_length_c 6.59416400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2ReBr
_chemical_formula_sum 'Ti2 Re1 Br1'
_cell_volume 79.45040419
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 2.79134497 1
Re Re1 1 1.73555423 1.73555423 5.68867384 1
Ti Ti2 1 0.00000000 0.00000000 6.53506202 1
Ti Ti3 1 1.73555423 1.73555423 1.47032917 1
[/CIF]
| BrReTi2 | P4mm | 99 | tetragonal | 4mm | 7,562.784042 | false |
[CIF]
data_Ba2FeBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99224352
_cell_length_b 5.99224352
_cell_length_c 5.99224352
_cell_angle_alpha 121.33291657
_cell_angle_beta 121.33291657
_cell_angle_gamma 87.70642015
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2FeBi
_chemical_formula_sum 'Ba2 Fe1 Bi1'
_cell_volume 148.94860432
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.93555749 -0.00000000 2.16055473 1
Ba Ba1 1 0.00000000 2.93555749 2.16055473 1
Bi Bi2 1 0.00000000 -0.00000000 4.32110945 1
Fe Fe3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ba2BiFe | I4/mmm | 139 | tetragonal | 4/mmm | 6,014.333759 | false |
[CIF]
data_TlZnW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44775134
_cell_length_b 5.44775134
_cell_length_c 5.44775134
_cell_angle_alpha 145.60759056
_cell_angle_beta 130.13828084
_cell_angle_gamma 61.97719955
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlZnW2
_chemical_formula_sum 'Tl1 Zn1 W2'
_cell_volume 69.09110368
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl Tl0 1 -0.00000000 -0.00000000 4.67019249 1
W W1 1 1.61059920 -0.00000000 2.26806693 1
W W2 1 -0.00000000 2.29635950 2.40212556 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| TlW2Zn | Immm | 71 | orthorhombic | mmm | 15,320.344386 | false |
[CIF]
data_RbC2I3N2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36225200
_cell_length_b 16.09482600
_cell_length_c 4.61245100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural RbC2I3N2
_chemical_formula_sum 'Rb2 C4 I6 N4'
_cell_volume 546.54852942
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rb Rb0 1 3.68112600 8.04741300 0.70096340 1
Rb Rb1 1 0.00000000 0.00000000 3.91148760 1
C C2 1 0.00000000 12.88511532 1.30986690 1
C C3 1 0.00000000 3.20971068 1.30986690 1
C C4 1 3.68112600 11.25712368 3.30258410 1
C C5 1 3.68112600 4.83770232 3.30258410 1
I I6 1 3.68112600 2.90350661 4.04463522 1
I I7 1 3.68112600 0.00000000 0.80101669 1
I I8 1 0.00000000 5.14390639 0.56781578 1
I I9 1 0.00000000 10.95091961 0.56781578 1
I I10 1 3.68112600 13.19131939 4.04463522 1
I I11 1 0.00000000 8.04741300 3.81143431 1
N N12 1 0.00000000 13.99197260 1.70061991 1
N N13 1 3.68112600 10.15026640 2.91183109 1
N N14 1 0.00000000 2.10285340 1.70061991 1
N N15 1 3.68112600 5.94455960 2.91183109 1
[/CIF]
| C4I6N4Rb2 | Pmmn | 59 | orthorhombic | mmm | 3,148.916823 | false |
[CIF]
data_TlReTcMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56615142
_cell_length_b 4.56615142
_cell_length_c 4.56615142
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlReTcMo
_chemical_formula_sum 'Tl1 Re1 Tc1 Mo1'
_cell_volume 67.31873223
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 0.00000000 0.00000000 0.00000000 1
Re Re1 1 3.22875663 3.22875663 3.22875663 1
Tc Tc2 1 1.61437831 1.61437832 1.61437832 1
Tl Tl3 1 4.84313495 4.84313495 4.84313495 1
[/CIF]
| MoReTcTl | F-43m | 216 | cubic | -43m | 14,441.350243 | false |
[CIF]
data_Ti2ZnCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.94628583
_cell_length_b 2.94628583
_cell_length_c 8.76410105
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2ZnCl
_chemical_formula_sum 'Ti2 Zn1 Cl1'
_cell_volume 76.07765726
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 7.22534637 1
Ti Ti1 1 1.47314291 1.47314291 8.74355546 1
Ti Ti2 1 0.00000000 0.00000000 2.06438462 1
Zn Zn3 1 1.47314291 1.47314291 3.87696618 1
[/CIF]
| ClTi2Zn | P4mm | 99 | tetragonal | 4mm | 4,290.447346 | false |
[CIF]
data_BeCrSnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30692094
_cell_length_b 4.30692094
_cell_length_c 4.30692094
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCrSnMo
_chemical_formula_sum 'Be1 Cr1 Sn1 Mo1'
_cell_volume 56.49183736
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 3.04545300 3.04545300 3.04545300 1
Mo Mo2 1 1.52272650 1.52272650 1.52272650 1
Sn Sn3 1 4.56817950 4.56817950 4.56817950 1
[/CIF]
| BeCrMoSn | F-43m | 216 | cubic | -43m | 8,103.375256 | false |
[CIF]
data_Li4SnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.90792098
_cell_length_b 4.90792098
_cell_length_c 4.90792098
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li4SnRu
_chemical_formula_sum 'Li4 Sn1 Ru1'
_cell_volume 83.59449697
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 2.58797756 2.58797756 4.35287086 1
Li Li1 1 2.58797756 4.35287086 2.58797756 1
Li Li2 1 4.35287086 2.58797756 2.58797756 1
Li Li3 1 4.35287086 4.35287086 4.35287086 1
Ru Ru4 1 0.00000000 0.00000000 0.00000000 1
Sn Sn5 1 1.73521211 1.73521211 1.73521211 1
[/CIF]
| Li4RuSn | F-43m | 216 | cubic | -43m | 4,917.267256 | false |
[CIF]
data_TiTlIrOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55976443
_cell_length_b 4.55976443
_cell_length_c 4.55976443
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiTlIrOs
_chemical_formula_sum 'Ti1 Tl1 Ir1 Os1'
_cell_volume 67.03663741
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ir Ir0 1 4.83636053 4.83636053 4.83636053 1
Os Os1 1 3.22424035 3.22424035 3.22424035 1
Ti Ti2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 1.61212018 1.61212018 1.61212018 1
[/CIF]
| IrOsTiTl | F-43m | 216 | cubic | -43m | 15,721.845589 | false |
[CIF]
data_YSiAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.68370353
_cell_length_b 3.68370353
_cell_length_c 6.02464834
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSiAu2
_chemical_formula_sum 'Y1 Si1 Au2'
_cell_volume 81.75250006
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.84185176 1.84185176 4.58271057 1
Au Au1 1 1.84185176 1.84185176 1.44193777 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
Y Y3 1 0.00000000 0.00000000 3.01232417 1
[/CIF]
| Au2SiY | P4/mmm | 123 | tetragonal | 4/mmm | 10,377.78749 | false |
[CIF]
data_Si2SbBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.53624139
_cell_length_b 3.53624139
_cell_length_c 8.07550588
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.68532088
_symmetry_Int_Tables_number 1
_chemical_formula_structural Si2SbBr
_chemical_formula_sum 'Si2 Sb1 Br1'
_cell_volume 94.47423389
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 0.00000000 1
Sb Sb1 1 0.00000000 0.00000000 4.03775294 1
Si Si2 1 2.01094458 0.00000000 5.94417113 1
Si Si3 1 2.01094458 0.00000000 2.13133475 1
[/CIF]
| BrSbSi2 | Cmmm | 65 | orthorhombic | mmm | 4,531.871523 | false |
[CIF]
data_TiNbBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.06014355
_cell_length_b 6.06014355
_cell_length_c 6.06014355
_cell_angle_alpha 143.85620491
_cell_angle_beta 143.85620491
_cell_angle_gamma 52.04237049
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiNbBr2
_chemical_formula_sum 'Ti1 Nb1 Br2'
_cell_volume 76.98438697
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 1.87991824 -0.00000000 2.72291914 1
Br Br1 1 0.00000000 -0.00000000 5.44583829 1
Nb Nb2 1 -0.00000000 1.87991824 2.72291915 1
Ti Ti3 1 -0.00000000 0.00000000 -0.00000000 1
[/CIF]
| Br2NbTi | I-4m2 | 119 | tetragonal | -42m | 6,483.485078 | false |
[CIF]
data_Sr4AlCd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.14288965
_cell_length_b 7.14288965
_cell_length_c 7.14288965
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr4AlCd
_chemical_formula_sum 'Sr4 Al1 Cd1'
_cell_volume 257.69549412
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Cd Cd1 1 2.52539286 2.52539286 2.52539286 1
Sr Sr2 1 3.78385625 3.78385625 6.31771517 1
Sr Sr3 1 3.78385625 6.31771517 3.78385625 1
Sr Sr4 1 6.31771517 3.78385625 3.78385625 1
Sr Sr5 1 6.31771517 6.31771517 6.31771517 1
[/CIF]
| AlCdSr4 | F-43m | 216 | cubic | -43m | 3,156.642264 | false |
[CIF]
data_NiRu2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83255685
_cell_length_b 3.84299907
_cell_length_c 5.23929822
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.49085359
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiRu2Cl
_chemical_formula_sum 'Ni1 Ru2 Cl1'
_cell_volume 54.96063860
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Ni Ni1 1 0.71661064 0.00000000 2.52448538 1
Ru Ru2 1 -0.75414791 1.92149953 3.80625815 1
Ru Ru3 1 2.18736919 1.92149953 1.24271261 1
[/CIF]
| ClNiRu2 | P2/m | 10 | monoclinic | 2/m | 8,951.772662 | false |
[CIF]
data_CrSiOs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92190568
_cell_length_b 2.92190568
_cell_length_c 6.13965643
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrSiOs2
_chemical_formula_sum 'Cr1 Si1 Os2'
_cell_volume 52.41751817
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 3.06982821 1
Os Os1 1 1.46095284 1.46095284 4.69415248 1
Os Os2 1 1.46095284 1.46095284 1.44550395 1
Si Si3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CrOs2Si | P4/mmm | 123 | tetragonal | 4/mmm | 14,589.536958 | false |
[CIF]
data_TiFeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21808287
_cell_length_b 4.21808287
_cell_length_c 4.21808287
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiFeSb
_chemical_formula_sum 'Ti1 Fe1 Sb1'
_cell_volume 53.06770731
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ti Ti0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 4.47395250 4.47395250 4.47395250 1
Sb Sb2 1 2.98263500 2.98263500 2.98263500 1
[/CIF]
| FeSbTi | F-43m | 216 | cubic | -43m | 7,055.233464 | false |
[CIF]
data_ScAg2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84081033
_cell_length_b 4.84081033
_cell_length_c 4.84081033
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScAg2Se
_chemical_formula_sum 'Sc1 Ag2 Se1'
_cell_volume 80.21197355
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 5.13445471 5.13445471 5.13445472 1
Ag Ag1 1 1.71148490 1.71148491 1.71148491 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Se Se3 1 3.42296981 3.42296981 3.42296981 1
[/CIF]
| Ag2ScSe | Fm-3m | 225 | cubic | m-3m | 7,031.443165 | false |
[CIF]
data_Y2GeAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25365899
_cell_length_b 5.25365899
_cell_length_c 5.25365899
_cell_angle_alpha 130.84000291
_cell_angle_beta 115.19283733
_cell_angle_gamma 85.43355572
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2GeAs
_chemical_formula_sum 'Y2 Ge1 As1'
_cell_volume 94.99207938
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 -0.00000000 3.85994721 1
Ge Ge1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 -0.00000000 2.81532852 1.91083197 1
Y Y3 1 2.18532965 -0.00000000 1.94911524 1
[/CIF]
| AsGeY2 | Immm | 71 | orthorhombic | mmm | 5,687.790807 | false |
[CIF]
data_TiAlCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.72917305
_cell_length_b 2.72917305
_cell_length_c 6.82143068
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAlCr
_chemical_formula_sum 'Ti1 Al1 Cr1'
_cell_volume 44.00157768
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.11087287 1
Cr Cr1 1 1.36458652 0.78784440 2.20688985 1
Ti Ti2 1 -0.00000000 1.57568879 4.50366795 1
[/CIF]
| AlCrTi | P3m1 | 156 | trigonal | 3m | 4,786.884679 | false |
[CIF]
data_Hf2InOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28875451
_cell_length_b 3.28875451
_cell_length_c 7.27129117
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2InOs
_chemical_formula_sum 'Hf2 In1 Os1'
_cell_volume 78.64560321
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 0.00000000 0.00000000 7.01680783 1
Hf Hf1 1 1.64437725 1.64437725 1.76652449 1
In In2 1 0.00000000 0.00000000 3.85171782 1
Os Os3 1 1.64437725 1.64437725 5.54317779 1
[/CIF]
| Hf2InOs | P4mm | 99 | tetragonal | 4mm | 13,978.193283 | false |
[CIF]
data_Li2ScAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.98050052
_cell_length_b 5.00042056
_cell_length_c 5.17013274
_cell_angle_alpha 90.00000000
_cell_angle_beta 93.56077647
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2ScAg
_chemical_formula_sum 'Li2 Sc1 Ag1'
_cell_volume 76.90564204
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 1.32969883 0.00000000 2.58007585 1
Li Li1 1 0.60816878 2.50021028 3.76356814 1
Li Li2 1 2.05122888 2.50021028 1.39658355 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgLi2Sc | P2/m | 10 | monoclinic | 2/m | 3,599.501991 | false |
[CIF]
data_Nb2VC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36257390
_cell_length_b 5.36257390
_cell_length_c 5.36257390
_cell_angle_alpha 143.21206552
_cell_angle_beta 143.21206552
_cell_angle_gamma 53.00717590
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2VC
_chemical_formula_sum 'Nb2 V1 C1'
_cell_volume 54.96566024
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
C C0 1 0.00000000 -0.00000000 0.00000000 1
Nb Nb1 1 1.69215551 0.00000000 2.39950090 1
Nb Nb2 1 0.00000000 0.00000000 4.79900180 1
V V3 1 0.00000000 1.69215551 2.39950090 1
[/CIF]
| CNb2V | I-4m2 | 119 | tetragonal | -42m | 7,515.309244 | false |
[CIF]
data_BeCr2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.70793343
_cell_length_b 3.70793343
_cell_length_c 3.96654608
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeCr2Sn
_chemical_formula_sum 'Be1 Cr2 Sn1'
_cell_volume 54.53513102
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 0.00000000 1.85396672 1.98327304 1
Cr Cr2 1 1.85396672 0.00000000 1.98327304 1
Sn Sn3 1 1.85396672 1.85396672 0.00000000 1
[/CIF]
| BeCr2Sn | P4/mmm | 123 | tetragonal | 4/mmm | 7,055.466383 | false |
[CIF]
data_Hf2HgSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.98839879
_cell_length_b 4.98839879
_cell_length_c 3.30488764
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 99.87631154
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2HgSe
_chemical_formula_sum 'Hf2 Hg1 Se1'
_cell_volume 81.02047021
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 1.60530188 1.90893596 1.65244382 1
Hf Hf1 1 1.60530188 -1.90893596 1.65244382 1
Hg Hg2 1 3.21060376 -0.00000000 0.00000000 1
Se Se3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hf2HgSe | Cmmm | 65 | orthorhombic | mmm | 13,045.875065 | false |
[CIF]
data_TlGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.27812002
_cell_length_b 3.27812002
_cell_length_c 10.22374877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.81099610
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlGa
_chemical_formula_sum 'Tl2 Ga2'
_cell_volume 102.69725395
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.86120101 1.34925921 1.02672222 1
Ga Ga1 1 1.86120101 -1.34925921 9.19702655 1
Tl Tl2 1 1.86120101 1.34925921 6.65803195 1
Tl Tl3 1 1.86120101 -1.34925921 3.56571682 1
[/CIF]
| Ga2Tl2 | Cmme | 67 | orthorhombic | mmm | 8,864.194553 | false |
[CIF]
data_CaZr2As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00123616
_cell_length_b 5.00123616
_cell_length_c 5.00123616
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZr2As
_chemical_formula_sum 'Ca1 Zr2 As1'
_cell_volume 88.45392091
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 3.53640800 3.53640800 3.53640800 1
Ca Ca1 1 0.00000000 0.00000000 0.00000000 1
Zr Zr2 1 1.76820400 1.76820400 1.76820400 1
Zr Zr3 1 5.30461200 5.30461200 5.30461200 1
[/CIF]
| AsCaZr2 | Fm-3m | 225 | cubic | m-3m | 5,583.962305 | false |
[CIF]
data_Zr5Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83049781
_cell_length_b 5.83049781
_cell_length_c 5.83049781
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr5Se
_chemical_formula_sum 'Zr5 Se1'
_cell_volume 140.15284309
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Se Se0 1 0.00000000 0.00000000 0.00000000 1
Zr Zr1 1 2.06139227 2.06139227 2.06139227 1
Zr Zr2 1 5.12893197 5.12893197 5.12893197 1
Zr Zr3 1 3.11663711 5.12893197 3.11663711 1
Zr Zr4 1 3.11663711 3.11663711 5.12893197 1
Zr Zr5 1 5.12893197 3.11663711 3.11663711 1
[/CIF]
| SeZr5 | F-43m | 216 | cubic | -43m | 6,339.659076 | false |
[CIF]
data_TlPPd5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01444061
_cell_length_b 4.01444061
_cell_length_c 7.10721156
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlPPd5
_chemical_formula_sum 'Tl1 P1 Pd5'
_cell_volume 114.53792680
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl Tl0 1 2.00722031 2.00722031 3.55360578 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 0.00000000 2.00722031 5.70708967 1
Pd Pd3 1 0.00000000 2.00722031 1.40012189 1
Pd Pd4 1 2.00722031 0.00000000 5.70708967 1
Pd Pd5 1 2.00722031 0.00000000 1.40012189 1
Pd Pd6 1 0.00000000 0.00000000 3.55360578 1
[/CIF]
| PPd5Tl | P4/mmm | 123 | tetragonal | 4/mmm | 11,126.379436 | false |
[CIF]
data_Na2TiIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13987194
_cell_length_b 5.13987194
_cell_length_c 5.13987194
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2TiIn
_chemical_formula_sum 'Na2 Ti1 In1'
_cell_volume 96.01562142
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 3.63443830 3.63443830 3.63443830 1
Na Na1 1 5.45165745 5.45165745 5.45165745 1
Na Na2 1 1.81721915 1.81721915 1.81721915 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InNa2Ti | Fm-3m | 225 | cubic | m-3m | 3,608.742129 | false |
[CIF]
data_CaUFe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.57713614
_cell_length_b 4.57713614
_cell_length_c 4.57713614
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaUFe2
_chemical_formula_sum 'Ca1 U1 Fe2'
_cell_volume 67.80574486
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Fe Fe1 1 4.85478600 4.85478600 4.85478600 1
Fe Fe2 1 1.61826200 1.61826200 1.61826200 1
U U3 1 3.23652400 3.23652400 3.23652400 1
[/CIF]
| CaFe2U | Fm-3m | 225 | cubic | m-3m | 9,545.990513 | false |
[CIF]
data_CuRe2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.55843019
_cell_length_b 4.55843019
_cell_length_c 5.32067732
_cell_angle_alpha 98.85707276
_cell_angle_beta 98.85707276
_cell_angle_gamma 41.52171015
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuRe2Pb
_chemical_formula_sum 'Cu1 Re2 Pb1'
_cell_volume 72.29014804
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 3.89952831 -0.00000000 2.79285933 1
Pb Pb1 1 6.15689072 -0.00000000 1.42013251 1
Re Re2 1 7.51554571 -0.00000000 4.84956257 1
Re Re3 1 1.54996494 -0.00000000 4.05757157 1
[/CIF]
| CuPbRe2 | Cm | 8 | monoclinic | m | 14,773.690952 | false |
[CIF]
data_NbNiF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15359707
_cell_length_b 4.15359707
_cell_length_c 4.15359707
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbNiF3
_chemical_formula_sum 'Nb1 Ni1 F3'
_cell_volume 71.65938775
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
F F0 1 0.00000000 2.07679853 2.07679853 1
F F1 1 2.07679853 0.00000000 2.07679853 1
F F2 1 2.07679853 2.07679853 0.00000000 1
Nb Nb3 1 2.07679853 2.07679853 2.07679853 1
Ni Ni4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| F3NbNi | Pm-3m | 221 | cubic | m-3m | 4,833.702048 | false |
[CIF]
data_ScTiZnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56940247
_cell_length_b 4.56940247
_cell_length_c 4.56940247
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTiZnMo
_chemical_formula_sum 'Sc1 Ti1 Zn1 Mo1'
_cell_volume 67.46262527
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 3.23105547 3.23105547 3.23105547 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Ti Ti2 1 4.84658320 4.84658320 4.84658320 1
Zn Zn3 1 1.61552773 1.61552773 1.61552774 1
[/CIF]
| MoScTiZn | F-43m | 216 | cubic | -43m | 6,256.018691 | false |
[CIF]
data_ScRu2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37853487
_cell_length_b 5.37853487
_cell_length_c 2.89884583
_cell_angle_alpha 103.62286060
_cell_angle_beta 103.62286060
_cell_angle_gamma 118.72699406
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScRu2Au
_chemical_formula_sum 'Sc1 Ru2 Au1'
_cell_volume 65.21207178
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 2.74084591 -0.00000000 0.00000000 1
Ru Ru1 1 0.70050667 -2.31389288 1.28531667 1
Ru Ru2 1 0.70050667 2.31389288 1.28531667 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuRu2Sc | C2/m | 12 | monoclinic | 2/m | 11,307.463136 | false |