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_ReAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.15205900
_cell_length_b 3.15205900
_cell_length_c 3.15205900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReAu
_chemical_formula_sum 'Re1 Au1'
_cell_volume 31.31720635
_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 1.57602950 1.57602950 1.57602950 1
Re Re1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuRe | Pm-3m | 221 | cubic | m-3m | 20,317.095766 | false |
[CIF]
data_AcRu3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01941032
_cell_length_b 5.01941032
_cell_length_c 5.01941032
_cell_angle_alpha 130.74842415
_cell_angle_beta 130.74842415
_cell_angle_gamma 72.21308624
_symmetry_Int_Tables_number 1
_chemical_formula_structural AcRu3
_chemical_formula_sum 'Ac1 Ru3'
_cell_volume 70.96005810
_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
Ac Ac0 1 0.00000000 -0.00000000 4.05529500 1
Ru Ru1 1 2.09153800 -0.00000000 2.02764750 1
Ru Ru2 1 0.00000000 2.09153800 2.02764750 1
Ru Ru3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AcRu3 | I4/mmm | 139 | tetragonal | 4/mmm | 12,407.464736 | false |
[CIF]
data_LaYMgTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08058344
_cell_length_b 5.08058344
_cell_length_c 5.08058344
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaYMgTc
_chemical_formula_sum 'La1 Y1 Mg1 Tc1'
_cell_volume 92.73117571
_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
La La0 1 1.79625750 1.79625750 1.79625750 1
Mg Mg1 1 0.00000000 0.00000000 0.00000000 1
Tc Tc2 1 5.38877250 5.38877250 5.38877250 1
Y Y3 1 3.59251500 3.59251500 3.59251500 1
[/CIF]
| LaMgTcY | F-43m | 216 | cubic | -43m | 6,285.76747 | false |
[CIF]
data_K4Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.30624032
_cell_length_b 11.30624032
_cell_length_c 11.30624032
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural K4Cu
_chemical_formula_sum 'K16 Cu4'
_cell_volume 1112.58383562
_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
Cu Cu0 1 2.14872345 2.14872345 2.14872345 1
Cu Cu1 1 -4.37893744 4.37893744 4.37893744 1
Cu Cu2 1 4.37893744 -4.37893744 4.37893744 1
Cu Cu3 1 4.37893744 4.37893744 -4.37893744 1
K K4 1 4.32126151 4.32126151 4.32126151 1
K K5 1 -2.20639938 2.20639938 2.20639938 1
K K6 1 2.20639938 -2.20639938 2.20639938 1
K K7 1 2.20639938 2.20639938 -2.20639938 1
K K8 1 0.00000000 -0.00000000 8.70925151 1
K K9 1 0.00000000 -0.00000000 4.34607027 1
K K10 1 0.00000000 8.70925151 -0.00000000 1
K K11 1 0.00000000 4.34607027 -0.00000000 1
K K12 1 8.70925151 0.00000000 -0.00000000 1
K K13 1 4.34607027 0.00000000 -0.00000000 1
K K14 1 6.52766089 -0.00000000 3.26383045 1
K K15 1 -0.00000000 6.52766089 3.26383045 1
K K16 1 -0.00000000 3.26383045 6.52766089 1
K K17 1 6.52766089 3.26383045 0.00000000 1
K K18 1 3.26383045 6.52766089 0.00000000 1
K K19 1 3.26383045 -0.00000000 6.52766089 1
[/CIF]
| Cu4K16 | I-43m | 217 | cubic | -43m | 1,313.043106 | false |
[CIF]
data_BaCuGe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.93394435
_cell_length_b 4.93394435
_cell_length_c 4.93394435
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaCuGe3
_chemical_formula_sum 'Ba1 Cu1 Ge3'
_cell_volume 120.11098826
_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 0.00000000 2.46697217 0.00000000 1
Ge Ge1 1 0.00000000 0.00000000 2.46697217 1
Ge Ge2 1 2.46697217 0.00000000 0.00000000 1
Ba Ba3 1 2.46697217 2.46697217 2.46697217 1
Cu Cu4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaCuGe3 | Pm-3m | 221 | cubic | m-3m | 5,789.829452 | false |
[CIF]
data_ZrTaSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78431578
_cell_length_b 3.78431578
_cell_length_c 6.04715221
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTaSn2
_chemical_formula_sum 'Zr1 Ta1 Sn2'
_cell_volume 86.60154427
_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
Sn Sn0 1 1.89215789 1.89215789 5.98549496 1
Sn Sn1 1 0.00000000 0.00000000 1.60036202 1
Ta Ta2 1 1.89215789 1.89215789 3.02579704 1
Zr Zr3 1 0.00000000 0.00000000 4.50622650 1
[/CIF]
| Sn2TaZr | P4mm | 99 | tetragonal | 4mm | 9,771.171743 | false |
[CIF]
data_TiPdPb3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31004462
_cell_length_b 5.31004462
_cell_length_c 5.31004462
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiPdPb3
_chemical_formula_sum 'Ti1 Pd1 Pb3'
_cell_volume 149.72506536
_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
Pb Pb0 1 2.65502231 0.00000000 2.65502231 1
Pb Pb1 1 2.65502231 2.65502231 0.00000000 1
Pb Pb2 1 0.00000000 2.65502231 2.65502231 1
Pd Pd3 1 2.65502231 2.65502231 2.65502231 1
Ti Ti4 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pb3PdTi | Pm-3m | 221 | cubic | m-3m | 8,605.043328 | false |
[CIF]
data_TaCdRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56480957
_cell_length_b 4.56480957
_cell_length_c 4.56480957
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaCdRe2
_chemical_formula_sum 'Ta1 Cd1 Re2'
_cell_volume 67.25940109
_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
Re Re1 1 3.22780780 3.22780780 3.22780780 1
Re Re2 1 4.84171170 4.84171170 4.84171170 1
Ta Ta3 1 1.61390390 1.61390390 1.61390390 1
[/CIF]
| CdRe2Ta | F-43m | 216 | cubic | -43m | 16,436.986633 | false |
[CIF]
data_CuH8C10(NCl)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.93955373
_cell_length_b 9.93955373
_cell_length_c 7.14992686
_cell_angle_alpha 102.63671450
_cell_angle_beta 102.63671450
_cell_angle_gamma 126.20710602
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuH8C10(NCl)2
_chemical_formula_sum 'Cu2 H16 C20 N4 Cl4'
_cell_volume 498.88556590
_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
Cu Cu0 1 3.17344637 0.83406964 5.19480736 1
Cu Cu1 1 4.90228187 -0.83406964 2.06567148 1
H H2 1 3.81141327 3.82181787 5.33555609 1
H H3 1 5.54024877 -3.82181787 2.20642021 1
H H4 1 1.38823937 -3.64943025 5.71767762 1
H H5 1 3.11707487 3.64943025 2.58854174 1
H H6 1 -0.90892792 3.99295582 6.03298462 1
H H7 1 0.81990758 -3.99295582 2.90384874 1
H H8 1 -0.88121330 1.52917545 6.00850791 1
H H9 1 0.84762220 -1.52917545 2.87937203 1
H H10 1 -1.06109944 -0.55440531 6.10849193 1
H H11 1 0.66773606 0.55440531 2.97935605 1
H H12 1 -1.41619726 -2.99318537 5.95322919 1
H H13 1 0.31263824 2.99318537 2.82409331 1
H H14 1 0.81388665 4.99150624 5.33151079 1
H H15 1 2.54272215 -4.99150624 2.20237491 1
H H16 1 3.41358077 -2.20834535 5.06235416 1
H H17 1 5.14241627 2.20834535 1.93321828 1
C C18 1 0.29629676 -5.49113287 5.48682685 1
C C19 1 2.02513226 5.49113287 2.35769097 1
C C20 1 1.45071796 -4.73783870 5.69224945 1
C C21 1 3.17955346 4.73783870 2.56311357 1
C C22 1 2.65619054 -5.41250541 5.87739817 1
C C23 1 4.38502604 5.41250541 2.74826229 1
C C24 1 -1.82103066 2.06022458 5.86837400 1
C C25 1 -0.09219516 -2.06022458 2.73923812 1
C C26 1 1.47469563 -7.49231207 5.67020398 1
C C27 1 3.20353113 7.49231207 2.54106810 1
C C28 1 1.36695705 8.77377671 5.65118589 1
C C29 1 3.09579255 -8.77377671 2.52205001 1
C C30 1 -2.04840050 -0.94560604 5.86787263 1
C C31 1 -0.31956500 0.94560604 2.73873675 1
C C32 1 2.24578916 6.54520201 5.77079735 1
C C33 1 3.97462466 -6.54520201 2.64166147 1
C C34 1 0.97977039 6.06120716 5.45433561 1
C C35 1 2.70860589 -6.06120716 2.32519973 1
C C36 1 4.43081971 -1.89743215 5.29174570 1
C C37 1 6.15965521 1.89743215 2.16260982 1
N N38 1 4.80498720 2.03438776 5.46883639 1
N N39 1 6.53382271 -2.03438776 2.33970051 1
N N40 1 4.61902495 -0.57417756 5.39903511 1
N N41 1 6.34786045 0.57417756 2.26989923 1
Cl Cl42 1 1.49582498 -0.66320196 5.66360103 1
Cl Cl43 1 3.22466048 0.66320196 2.53446515 1
Cl Cl44 1 1.70566271 2.56766643 5.23342400 1
Cl Cl45 1 3.43449821 -2.56766643 2.10428812 1
[/CIF]
| C20H16Cl4Cu2N4 | Cc | 9 | monoclinic | m | 1,934.761798 | true |
[CIF]
data_CdSiPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.39179850
_cell_length_b 4.39179850
_cell_length_c 4.39179850
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdSiPd
_chemical_formula_sum 'Cd1 Si1 Pd1'
_cell_volume 59.89798599
_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 4.65820575 4.65820575 4.65820575 1
Pd Pd1 1 3.10547050 3.10547050 3.10547050 1
Si Si2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdPdSi | F-43m | 216 | cubic | -43m | 6,845.213369 | false |
[CIF]
data_Er2PaTa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20513759
_cell_length_b 5.20513759
_cell_length_c 5.20513759
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Er2PaTa
_chemical_formula_sum 'Er2 Pa1 Ta1'
_cell_volume 99.71985646
_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
Er Er0 1 1.84029404 1.84029404 1.84029404 1
Er Er1 1 5.52088213 5.52088213 5.52088213 1
Pa Pa2 1 3.68058809 3.68058809 3.68058809 1
Ta Ta3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Er2PaTa | Fm-3m | 225 | cubic | m-3m | 12,430.777378 | false |
[CIF]
data_La2ZrSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.52164801
_cell_length_b 5.52164801
_cell_length_c 5.52164801
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2ZrSc
_chemical_formula_sum 'La2 Zr1 Sc1'
_cell_volume 119.03951700
_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
La La0 1 3.90439475 3.90439475 3.90439475 1
La La1 1 1.95219737 1.95219737 1.95219737 1
Sc Sc2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 5.85659212 5.85659213 5.85659212 1
[/CIF]
| La2ScZr | F-43m | 216 | cubic | -43m | 5,774.956084 | false |
[CIF]
data_SrLiMnBe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85913820
_cell_length_b 4.85913820
_cell_length_c 4.85913820
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrLiMnBe
_chemical_formula_sum 'Sr1 Li1 Mn1 Be1'
_cell_volume 81.12650279
_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 1.71796479 1.71796478 1.71796478 1
Li Li1 1 0.00000000 0.00000000 0.00000000 1
Mn Mn2 1 3.43592957 3.43592957 3.43592957 1
Sr Sr3 1 5.15389436 5.15389436 5.15389436 1
[/CIF]
| BeLiMnSr | F-43m | 216 | cubic | -43m | 3,244.489481 | false |
[CIF]
data_In3Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.18882756
_cell_length_b 8.09912468
_cell_length_c 5.65258001
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In3Co
_chemical_formula_sum 'In12 Co4'
_cell_volume 329.11135699
_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
Co Co0 1 6.18784356 6.07434351 3.08677830 1
Co Co1 1 4.59539778 2.02478117 0.26048830 1
Co Co2 1 2.59342978 6.07434351 5.39209171 1
Co Co3 1 1.00098400 2.02478117 2.56580171 1
In In4 1 0.16737215 6.07434351 0.69224298 1
In In5 1 3.42704163 2.02478117 3.51853299 1
In In6 1 3.76178593 6.07434351 2.13404702 1
In In7 1 7.02145541 2.02478117 4.96033703 1
In In8 1 1.22349719 7.62870541 3.66577089 1
In In9 1 2.37091659 0.47041927 0.83948088 1
In In10 1 4.81791097 4.51998161 4.81309913 1
In In11 1 5.96533037 3.57914307 1.98680912 1
In In12 1 5.96533037 0.47041927 1.98680912 1
In In13 1 4.81791097 7.62870541 4.81309913 1
In In14 1 2.37091659 3.57914307 0.83948088 1
In In15 1 1.22349719 4.51998161 3.66577089 1
[/CIF]
| Co4In12 | Pnma | 62 | orthorhombic | mmm | 8,141.198194 | false |
[CIF]
data_NiSnHgAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76339127
_cell_length_b 4.76339127
_cell_length_c 4.76339127
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiSnHgAu
_chemical_formula_sum 'Ni1 Sn1 Hg1 Au1'
_cell_volume 76.42470516
_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 1.68411314 1.68411314 1.68411314 1
Hg Hg1 1 5.05233941 5.05233941 5.05233941 1
Ni Ni2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 3.36822627 3.36822627 3.36822627 1
[/CIF]
| AuHgNiSn | F-43m | 216 | cubic | -43m | 12,492.60286 | false |
[CIF]
data_NbIO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.11993564
_cell_length_b 4.11993564
_cell_length_c 4.11993564
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbIO3
_chemical_formula_sum 'Nb1 I1 O3'
_cell_volume 69.93125063
_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
I I0 1 2.05996782 2.05996782 2.05996782 1
Nb Nb1 1 0.00000000 0.00000000 0.00000000 1
O O2 1 2.05996782 0.00000000 0.00000000 1
O O3 1 0.00000000 2.05996782 0.00000000 1
O O4 1 0.00000000 0.00000000 2.05996782 1
[/CIF]
| INbO3 | Pm-3m | 221 | cubic | m-3m | 6,359.208306 | false |
[CIF]
data_TcGeB
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61413948
_cell_length_b 4.61413948
_cell_length_c 4.61413948
_cell_angle_alpha 142.26260509
_cell_angle_beta 142.26260509
_cell_angle_gamma 54.43342796
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcGeB
_chemical_formula_sum 'Tc1 Ge1 B1'
_cell_volume 36.54714773
_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 0.27704456 1
Ge Ge1 1 0.00000000 -0.00000000 2.72673171 1
Tc Tc2 1 -0.00000000 0.00000000 5.20277527 1
[/CIF]
| BGeTc | I4mm | 107 | tetragonal | 4mm | 8,285.526689 | false |
[CIF]
data_Nb4FeSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34835755
_cell_length_b 5.34835755
_cell_length_c 5.34835755
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb4FeSe
_chemical_formula_sum 'Nb4 Fe1 Se1'
_cell_volume 108.17983158
_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 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 4.73289905 4.73289905 2.83082073 1
Nb Nb2 1 4.73289905 2.83082073 4.73289905 1
Nb Nb3 1 2.83082073 4.73289905 4.73289905 1
Nb Nb4 1 2.83082073 2.83082073 2.83082073 1
Se Se5 1 5.67278983 5.67278983 5.67278983 1
[/CIF]
| FeNb4Se | F-43m | 216 | cubic | -43m | 7,773.608543 | false |
[CIF]
data_AgPb2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55516631
_cell_length_b 5.70707551
_cell_length_c 5.63777639
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.51913605
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AgPb2Br
_chemical_formula_sum 'Ag1 Pb2 Br1'
_cell_volume 113.12613309
_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 1.26255458 2.85353776 2.96406550 1
Br Br1 1 2.34024423 0.00000000 1.31658338 1
Pb Pb2 1 3.49870629 2.85353776 0.07886981 1
Pb Pb3 1 0.53364274 0.00000000 4.00383880 1
[/CIF]
| AgBrPb2 | Pm | 6 | monoclinic | m | 8,839.075779 | false |
[CIF]
data_TiV2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.25817171
_cell_length_b 5.25817171
_cell_length_c 3.01463598
_cell_angle_alpha 101.36494335
_cell_angle_beta 101.36494335
_cell_angle_gamma 115.88143589
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiV2Bi
_chemical_formula_sum 'Ti1 V2 Bi1'
_cell_volume 69.63046865
_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 2.79101876 0.00000000 0.00000000 1
Ti Ti1 1 0.00000000 0.00000000 0.00000000 1
V V2 1 0.83591943 2.22814856 1.39959516 1
V V3 1 0.83591943 -2.22814856 1.39959516 1
[/CIF]
| BiTiV2 | C2/m | 12 | monoclinic | 2/m | 8,554.959562 | false |
[CIF]
data_KIn2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59513414
_cell_length_b 3.59513414
_cell_length_c 8.73645214
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KIn2Ag
_chemical_formula_sum 'K1 In2 Ag1'
_cell_volume 112.91855204
_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 4.36822607 1
In In1 1 1.79756707 1.79756707 6.01046826 1
In In2 1 1.79756707 1.79756707 2.72598388 1
K K3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgIn2K | P4/mmm | 123 | tetragonal | 4/mmm | 5,538.17909 | false |
[CIF]
data_UAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23913037
_cell_length_b 5.23913037
_cell_length_c 5.23913037
_cell_angle_alpha 132.24847121
_cell_angle_beta 132.24847121
_cell_angle_gamma 69.83687560
_symmetry_Int_Tables_number 1
_chemical_formula_structural UAl3
_chemical_formula_sum 'U1 Al3'
_cell_volume 77.27133955
_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
Al Al1 1 2.12056332 -0.00000000 2.14795889 1
Al Al2 1 -0.00000000 2.12056332 2.14795889 1
U U3 1 0.00000000 -0.00000000 4.29591777 1
[/CIF]
| Al3U | I4/mmm | 139 | tetragonal | 4/mmm | 6,854.65017 | false |
[CIF]
data_Zn2CuHg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97501596
_cell_length_b 4.97501596
_cell_length_c 4.97501596
_cell_angle_alpha 135.71445345
_cell_angle_beta 130.45565302
_cell_angle_gamma 68.60914385
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zn2CuHg
_chemical_formula_sum 'Zn2 Cu1 Hg1'
_cell_volume 64.25715493
_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 4.04160007 1
Hg Hg1 1 -0.00000000 2.08458720 1.99378223 1
Zn Zn2 1 -0.00000000 -0.00000000 0.03069440 1
Zn Zn3 1 1.87516234 -0.00000000 2.15318017 1
[/CIF]
| CuHgZn2 | Imm2 | 44 | orthorhombic | mm2 | 10,204.93727 | false |
[CIF]
data_VGaHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18897230
_cell_length_b 5.18897230
_cell_length_c 3.03800513
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 113.62635353
_symmetry_Int_Tables_number 1
_chemical_formula_structural VGaHg2
_chemical_formula_sum 'V1 Ga1 Hg2'
_cell_volume 74.94303863
_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
Ga Ga0 1 2.84029177 0.00000000 0.00000000 1
Hg Hg1 1 1.42014589 -2.17130008 1.51900257 1
Hg Hg2 1 1.42014589 2.17130008 1.51900257 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaHg2V | Cmmm | 65 | orthorhombic | mmm | 11,562.690742 | false |
[CIF]
data_NaCaHo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69193213
_cell_length_b 5.69193213
_cell_length_c 5.69193213
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCaHo2
_chemical_formula_sum 'Na1 Ca1 Ho2'
_cell_volume 130.39596168
_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 4.02480381 4.02480381 4.02480381 1
Ho Ho1 1 2.01240190 2.01240190 2.01240190 1
Ho Ho2 1 6.03720571 6.03720571 6.03720571 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CaHo2Na | Fm-3m | 225 | cubic | m-3m | 5,003.782062 | false |
[CIF]
data_Nb2Pd2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.47479811
_cell_length_b 7.47479811
_cell_length_c 7.47479811
_cell_angle_alpha 151.05801034
_cell_angle_beta 151.05801034
_cell_angle_gamma 41.39054156
_symmetry_Int_Tables_number 1
_chemical_formula_structural Nb2Pd2Cl
_chemical_formula_sum 'Nb2 Pd2 Cl1'
_cell_volume 97.58588718
_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
Nb Nb1 1 0.00000000 1.86787626 3.49623666 1
Nb Nb2 1 1.86787626 -0.00000000 3.49623666 1
Pd Pd3 1 0.00000000 -0.00000000 8.46917517 1
Pd Pd4 1 0.00000000 -0.00000000 5.51577149 1
[/CIF]
| ClNb2Pd2 | I4/mmm | 139 | tetragonal | 4/mmm | 7,386.821951 | false |
[CIF]
data_CdTcPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41480560
_cell_length_b 4.41480560
_cell_length_c 4.41480560
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdTcPt
_chemical_formula_sum 'Cd1 Tc1 Pt1'
_cell_volume 60.84428018
_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 1.56086949 1.56086949 1.56086949 1
Pt Pt1 1 3.12173898 3.12173898 3.12173898 1
Tc Tc2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CdPtTc | F-43m | 216 | cubic | -43m | 11,091.347737 | false |
[CIF]
data_Cr4HgSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00742043
_cell_length_b 5.00742043
_cell_length_c 5.00742043
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cr4HgSb
_chemical_formula_sum 'Cr4 Hg1 Sb1'
_cell_volume 88.78245952
_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 4.40540261 4.40540261 2.67615927 1
Cr Cr1 1 4.40540261 2.67615927 4.40540261 1
Cr Cr2 1 2.67615927 4.40540261 4.40540261 1
Cr Cr3 1 2.67615927 2.67615927 2.67615927 1
Hg Hg4 1 5.31117141 5.31117141 5.31117141 1
Sb Sb5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cr4HgSb | F-43m | 216 | cubic | -43m | 9,919.087558 | false |
[CIF]
data_KBaGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.81115826
_cell_length_b 3.81115826
_cell_length_c 10.06278259
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 100.60374655
_symmetry_Int_Tables_number 1
_chemical_formula_structural KBaGe2
_chemical_formula_sum 'K1 Ba1 Ge2'
_cell_volume 143.66523721
_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 2.43434937 0.00000000 1.58448383 1
Ge Ge1 1 0.00000000 0.00000000 9.42880897 1
Ge Ge2 1 2.43434937 0.00000000 8.27808591 1
K K3 1 0.00000000 0.00000000 5.86557776 1
[/CIF]
| BaGe2K | Cmm2 | 35 | orthorhombic | mm2 | 3,718.395827 | false |
[CIF]
data_SrCaZrTa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.37993535
_cell_length_b 5.37993535
_cell_length_c 5.37993535
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrCaZrTa
_chemical_formula_sum 'Sr1 Ca1 Zr1 Ta1'
_cell_volume 110.10731522
_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
Sr Sr1 1 5.70628316 5.70628316 5.70628315 1
Ta Ta2 1 3.80418877 3.80418877 3.80418877 1
Zr Zr3 1 1.90209439 1.90209439 1.90209438 1
[/CIF]
| CaSrTaZr | F-43m | 216 | cubic | -43m | 6,030.476322 | false |
[CIF]
data_InGa2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87183263
_cell_length_b 2.87183263
_cell_length_c 10.06716232
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 114.40418125
_symmetry_Int_Tables_number 1
_chemical_formula_structural InGa2Re
_chemical_formula_sum 'In1 Ga2 Re1'
_cell_volume 75.60986943
_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
Ga Ga0 1 1.55560723 0.00000000 7.17419823 1
Ga Ga1 1 1.55560723 0.00000000 2.89296409 1
In In2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 0.00000000 0.00000000 5.03358116 1
[/CIF]
| Ga2InRe | Cmmm | 65 | orthorhombic | mmm | 9,673.595639 | false |
[CIF]
data_Al3Ni
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.89000000
_cell_length_b 3.89000000
_cell_length_c 7.78000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Al3Ni
_chemical_formula_sum 'Al6 Ni2'
_cell_volume 117.72773800
_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
Al Al0 1 2.91750000 0.00000000 6.80750000 1
Al Al1 1 0.97250000 0.00000000 0.97250000 1
Al Al2 1 2.91750000 0.00000000 2.91750000 1
Al Al3 1 0.97250000 0.00000000 4.86250000 1
Al Al4 1 0.97250000 1.94500000 6.80750000 1
Al Al5 1 2.91750000 1.94500000 0.97250000 1
Ni Ni6 1 0.97250000 1.94500000 2.91750000 1
Ni Ni7 1 2.91750000 1.94500000 4.86250000 1
[/CIF]
| Al6Ni2 | Pmma | 51 | orthorhombic | mmm | 3,939.163095 | false |
[CIF]
data_YInCuW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.83481051
_cell_length_b 4.83481051
_cell_length_c 4.83481051
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YInCuW
_chemical_formula_sum 'Y1 In1 Cu1 W1'
_cell_volume 79.91409318
_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
In In1 1 5.12809095 5.12809095 5.12809095 1
W W2 1 3.41872730 3.41872730 3.41872730 1
Y Y3 1 1.70936365 1.70936365 1.70936365 1
[/CIF]
| CuInWY | F-43m | 216 | cubic | -43m | 9,373.634855 | false |
[CIF]
data_KCu2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.39858315
_cell_length_b 3.39858315
_cell_length_c 7.85645231
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCu2Hg
_chemical_formula_sum 'K1 Cu2 Hg1'
_cell_volume 90.74491086
_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 1.69929157 1.69929157 0.80113839 1
Cu Cu1 1 0.00000000 0.00000000 1.42197026 1
Hg Hg2 1 1.69929157 1.69929157 3.49256875 1
K K3 1 0.00000000 0.00000000 6.06900099 1
[/CIF]
| Cu2HgK | P4mm | 99 | tetragonal | 4mm | 6,711.704395 | false |
[CIF]
data_ScTa2Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68014010
_cell_length_b 4.68014010
_cell_length_c 4.68014010
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTa2Zn
_chemical_formula_sum 'Sc1 Ta2 Zn1'
_cell_volume 72.48723986
_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 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 3.30935880 3.30935880 3.30935880 1
Ta Ta2 1 1.65467940 1.65467940 1.65467940 1
Zn Zn3 1 4.96403820 4.96403820 4.96403820 1
[/CIF]
| ScTa2Zn | F-43m | 216 | cubic | -43m | 10,817.892106 | false |
[CIF]
data_Sc2CdFe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13653045
_cell_length_b 3.13653045
_cell_length_c 7.88678557
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2CdFe
_chemical_formula_sum 'Sc2 Cd1 Fe1'
_cell_volume 77.58880261
_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 1.56826523 1.56826523 4.29388848 1
Fe Fe1 1 0.00000000 0.00000000 5.97386892 1
Sc Sc2 1 1.56826523 1.56826523 7.35783708 1
Sc Sc3 1 0.00000000 0.00000000 2.09136945 1
[/CIF]
| CdFeSc2 | P4mm | 99 | tetragonal | 4mm | 5,525.500116 | false |
[CIF]
data_LaP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27863808
_cell_length_b 4.27863808
_cell_length_c 4.27863808
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaP
_chemical_formula_sum 'La1 P1'
_cell_volume 55.38621129
_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
La La0 1 3.02545400 3.02545400 3.02545400 1
P P1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| LaP | Fm-3m | 225 | cubic | m-3m | 5,093.164792 | false |
[CIF]
data_CdBiPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05786431
_cell_length_b 9.05786431
_cell_length_c 9.05786431
_cell_angle_alpha 20.58902321
_cell_angle_beta 20.58902321
_cell_angle_gamma 20.58902321
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdBiPt2
_chemical_formula_sum 'Cd1 Bi1 Pt2'
_cell_volume 80.44640996
_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 -0.00000000 -0.00000000 13.29437278 1
Cd Cd1 1 0.00000000 -0.00000000 -0.00000000 1
Pt Pt2 1 0.00000000 -0.00000000 6.72359314 1
Pt Pt3 1 0.00000000 0.00000000 19.86515242 1
[/CIF]
| BiCdPt2 | R-3m | 166 | trigonal | -3m | 14,687.693118 | false |
[CIF]
data_Ta2GeP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.09368637
_cell_length_b 3.09368637
_cell_length_c 6.65656180
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2GeP
_chemical_formula_sum 'Ta2 Ge1 P1'
_cell_volume 63.70925642
_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 0.00000000 0.00000000 3.32828090 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 1.54684318 1.54684318 1.52026173 1
Ta Ta3 1 1.54684318 1.54684318 5.13630007 1
[/CIF]
| GePTa2 | P4/mmm | 123 | tetragonal | 4/mmm | 12,133.193677 | false |
[CIF]
data_HfNb2Ir
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62002035
_cell_length_b 4.62002035
_cell_length_c 4.62002035
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfNb2Ir
_chemical_formula_sum 'Hf1 Nb2 Ir1'
_cell_volume 69.72951881
_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 0.00000000 1
Ir Ir1 1 3.26684772 3.26684772 3.26684772 1
Nb Nb2 1 1.63342386 1.63342386 1.63342386 1
Nb Nb3 1 4.90027158 4.90027158 4.90027158 1
[/CIF]
| HfIrNb2 | Fm-3m | 225 | cubic | m-3m | 13,252.964004 | false |
[CIF]
data_As
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91252319
_cell_length_b 2.91252319
_cell_length_c 2.91252319
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural As
_chemical_formula_sum As1
_cell_volume 19.01893906
_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
[/CIF]
| As | Im-3m | 229 | cubic | m-3m | 6,541.387158 | false |
[CIF]
data_MgNbGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.99811033
_cell_length_b 4.99811033
_cell_length_c 2.90280361
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.81494974
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgNbGa2
_chemical_formula_sum 'Mg1 Nb1 Ga2'
_cell_volume 68.22179022
_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
Ga Ga0 1 1.43670309 -2.04478873 1.45140181 1
Ga Ga1 1 1.43670309 2.04478873 1.45140181 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Nb Nb3 1 2.87340619 0.00000000 0.00000000 1
[/CIF]
| Ga2MgNb | Cmmm | 65 | orthorhombic | mmm | 6,247.621406 | false |
[CIF]
data_KInCo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27845597
_cell_length_b 5.27845597
_cell_length_c 5.27845597
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KInCo
_chemical_formula_sum 'K1 In1 Co1'
_cell_volume 103.99338427
_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
Co Co0 1 1.86621601 1.86621601 1.86621601 1
In In1 1 5.59864802 5.59864802 5.59864802 1
K K2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CoInK | F-43m | 216 | cubic | -43m | 3,398.724873 | false |
[CIF]
data_U(Zn10Ir)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.10074460
_cell_length_b 10.10074460
_cell_length_c 10.10074460
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural U(Zn10Ir)2
_chemical_formula_sum 'U2 Zn40 Ir4'
_cell_volume 728.69396350
_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
U U0 1 -0.00000000 0.00000000 -0.00000000 1
U U1 1 3.57115250 3.57115250 3.57115250 1
Zn Zn2 1 1.78557625 5.35672875 5.35672875 1
Zn Zn3 1 5.35672875 1.78557625 5.35672875 1
Zn Zn4 1 5.35672875 5.35672875 1.78557625 1
Zn Zn5 1 1.78557625 1.78557625 1.78557625 1
Zn Zn6 1 7.14230500 7.14230500 5.15691563 1
Zn Zn7 1 7.14230500 7.14230500 9.12769437 1
Zn Zn8 1 7.14230500 5.15691563 7.14230500 1
Zn Zn9 1 7.14230500 9.12769437 7.14230500 1
Zn Zn10 1 5.15691563 7.14230500 7.14230500 1
Zn Zn11 1 9.12769437 7.14230500 7.14230500 1
Zn Zn12 1 10.71345750 10.71345750 12.69884687 1
Zn Zn13 1 10.71345750 10.71345750 8.72806813 1
Zn Zn14 1 10.71345750 12.69884687 10.71345750 1
Zn Zn15 1 10.71345750 8.72806813 10.71345750 1
Zn Zn16 1 12.69884687 10.71345750 10.71345750 1
Zn Zn17 1 8.72806813 10.71345750 10.71345750 1
Zn Zn18 1 11.47497006 6.22466165 6.22466165 1
Zn Zn19 1 2.80963994 8.05994835 6.22466165 1
Zn Zn20 1 2.80963994 6.22466165 8.05994835 1
Zn Zn21 1 11.47497006 8.05994835 8.05994835 1
Zn Zn22 1 6.22466165 6.22466165 11.47497006 1
Zn Zn23 1 8.05994835 6.22466165 2.80963994 1
Zn Zn24 1 6.22466165 8.05994835 2.80963994 1
Zn Zn25 1 8.05994835 8.05994835 11.47497006 1
Zn Zn26 1 6.22466165 11.47497006 6.22466165 1
Zn Zn27 1 6.22466165 2.80963994 8.05994835 1
Zn Zn28 1 8.05994835 2.80963994 6.22466165 1
Zn Zn29 1 8.05994835 11.47497006 8.05994835 1
Zn Zn30 1 6.38079244 4.48879585 4.48879585 1
Zn Zn31 1 7.90381756 9.79581415 4.48879585 1
Zn Zn32 1 7.90381756 4.48879585 9.79581415 1
Zn Zn33 1 6.38079244 9.79581415 9.79581415 1
Zn Zn34 1 4.48879585 4.48879585 6.38079244 1
Zn Zn35 1 9.79581415 4.48879585 7.90381756 1
Zn Zn36 1 4.48879585 9.79581415 7.90381756 1
Zn Zn37 1 9.79581415 9.79581415 6.38079244 1
Zn Zn38 1 4.48879585 6.38079244 4.48879585 1
Zn Zn39 1 4.48879585 7.90381756 9.79581415 1
Zn Zn40 1 9.79581415 7.90381756 4.48879585 1
Zn Zn41 1 9.79581415 6.38079244 9.79581415 1
Ir Ir42 1 8.92788125 5.35672875 5.35672875 1
Ir Ir43 1 5.35672875 8.92788125 5.35672875 1
Ir Ir44 1 5.35672875 5.35672875 8.92788125 1
Ir Ir45 1 8.92788125 8.92788125 8.92788125 1
[/CIF]
| Ir4U2Zn40 | Fd-3m | 227 | cubic | m-3m | 8,796.408434 | true |
[CIF]
data_NaNb2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67362351
_cell_length_b 4.67362351
_cell_length_c 4.67362351
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaNb2W
_chemical_formula_sum 'Na1 Nb2 W1'
_cell_volume 72.18486962
_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
Nb Nb1 1 3.30475088 3.30475088 3.30475088 1
Nb Nb2 1 1.65237544 1.65237544 1.65237544 1
W W3 1 4.95712632 4.95712632 4.95712632 1
[/CIF]
| NaNb2W | F-43m | 216 | cubic | -43m | 9,032.339638 | false |
[CIF]
data_Hf2ScOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13126711
_cell_length_b 4.53326192
_cell_length_c 5.72259753
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.16171190
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2ScOs
_chemical_formula_sum 'Hf2 Sc1 Os1'
_cell_volume 78.40389074
_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 0.00827031 2.26663096 0.01262180 1
Hf Hf1 1 1.70746140 0.00000000 1.51094242 1
Os Os2 1 0.82014471 2.26663096 2.71935975 1
Sc Sc3 1 -0.08404445 0.00000000 4.04217972 1
[/CIF]
| Hf2OsSc | Pm | 6 | monoclinic | m | 12,541.656053 | false |
[CIF]
data_Li2YTi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51098152
_cell_length_b 4.84528272
_cell_length_c 5.17489158
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li2YTi
_chemical_formula_sum 'Li2 Y1 Ti1'
_cell_volume 88.03369320
_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 0.00000000 0.00000000 0.00000000 1
Li Li1 1 1.75549076 2.42264136 0.00000000 1
Ti Ti2 1 1.75549076 0.00000000 2.58744579 1
Y Y3 1 0.00000000 2.42264136 2.58744579 1
[/CIF]
| Li2TiY | Pmmm | 47 | orthorhombic | mmm | 2,841.733147 | false |
[CIF]
data_Ho2MgPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.30703580
_cell_length_b 5.30703580
_cell_length_c 5.30703580
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ho2MgPb
_chemical_formula_sum 'Ho2 Mg1 Pb1'
_cell_volume 105.69174135
_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
Ho Ho0 1 5.62896150 5.62896150 5.62896150 1
Ho Ho1 1 1.87632050 1.87632050 1.87632050 1
Mg Mg2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 3.75264100 3.75264100 3.75264100 1
[/CIF]
| Ho2MgPb | Fm-3m | 225 | cubic | m-3m | 8,819.70118 | false |
[CIF]
data_Sc2CoBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.23047654
_cell_length_b 3.23047654
_cell_length_c 7.90981864
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc2CoBi
_chemical_formula_sum 'Sc2 Co1 Bi1'
_cell_volume 82.54669865
_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 0.00000000 0.00000000 3.95490932 1
Co Co1 1 0.00000000 0.00000000 0.00000000 1
Sc Sc2 1 1.61523827 1.61523827 1.50653127 1
Sc Sc3 1 1.61523827 1.61523827 6.40328737 1
[/CIF]
| BiCoSc2 | P4/mmm | 123 | tetragonal | 4/mmm | 7,198.144771 | false |
[CIF]
data_NbTlAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11439171
_cell_length_b 5.11439171
_cell_length_c 5.11439171
_cell_angle_alpha 129.22496149
_cell_angle_beta 129.22496149
_cell_angle_gamma 74.64886957
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbTlAu2
_chemical_formula_sum 'Nb1 Tl1 Au2'
_cell_volume 78.21880312
_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 0.00000000 -0.00000000 4.06704087 1
Au Au1 1 0.00000000 2.19273586 2.03352044 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 2.19273586 -0.00000000 2.03352044 1
[/CIF]
| Au2NbTl | I-4m2 | 119 | tetragonal | -42m | 14,674.252829 | false |
[CIF]
data_CaVMo4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34414876
_cell_length_b 5.34414876
_cell_length_c 5.34414876
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaVMo4
_chemical_formula_sum 'Ca1 V1 Mo4'
_cell_volume 107.92464255
_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
Mo Mo1 1 4.72543553 4.72543553 2.83233213 1
Mo Mo2 1 4.72543553 2.83233213 4.72543553 1
Mo Mo3 1 2.83233213 4.72543553 4.72543553 1
Mo Mo4 1 2.83233213 2.83233213 2.83233213 1
V V5 1 5.66832574 5.66832574 5.66832575 1
[/CIF]
| CaMo4V | F-43m | 216 | cubic | -43m | 7,306.234538 | false |
[CIF]
data_VTcIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.74491624
_cell_length_b 4.35845099
_cell_length_c 4.75049184
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VTcIr2
_chemical_formula_sum 'V1 Tc1 Ir2'
_cell_volume 56.83290288
_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 1.37245812 2.17922549 0.25255040 1
Ir Ir1 1 1.37245812 0.00000000 3.31712708 1
Tc Tc2 1 0.00000000 2.17922549 2.57709075 1
V V3 1 0.00000000 0.00000000 0.97896953 1
[/CIF]
| Ir2TcV | Pmm2 | 25 | orthorhombic | mm2 | 15,610.601457 | false |
[CIF]
data_YFeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27684816
_cell_length_b 4.27684816
_cell_length_c 4.07242071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YFeSb
_chemical_formula_sum 'Y1 Fe1 Sb1'
_cell_volume 64.51057783
_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 0.00000000 0.00000000 0.62984560 1
Sb Sb1 1 2.13842408 1.23461972 0.70288397 1
Y Y2 1 0.00000000 2.46923943 2.73969118 1
[/CIF]
| FeSbY | P3m1 | 156 | trigonal | 3m | 6,860.141277 | false |
[CIF]
data_Sn2MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20162564
_cell_length_b 5.20162564
_cell_length_c 5.20162564
_cell_angle_alpha 132.63184546
_cell_angle_beta 132.63184546
_cell_angle_gamma 69.23290777
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sn2MoW
_chemical_formula_sum 'Sn2 Mo1 W1'
_cell_volume 74.75705090
_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
Sn Sn1 1 2.08945814 -0.00000000 2.14039942 1
Sn Sn2 1 0.00000000 -0.00000000 4.28079883 1
W W3 1 0.00000000 2.08945814 2.14039941 1
[/CIF]
| MoSn2W | I-4m2 | 119 | tetragonal | -42m | 11,488.735921 | false |
[CIF]
data_HgBi2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.07202581
_cell_length_b 5.07202581
_cell_length_c 3.63353726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HgBi2Ru
_chemical_formula_sum 'Hg1 Bi2 Ru1'
_cell_volume 93.47436591
_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 0.00000000 2.53601291 1.81676863 1
Bi Bi1 1 2.53601291 0.00000000 1.81676863 1
Hg Hg2 1 2.53601291 2.53601291 0.00000000 1
Ru Ru3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Bi2HgRu | P4/mmm | 123 | tetragonal | 4/mmm | 12,783.809122 | false |
[CIF]
data_LaTh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55418703
_cell_length_b 3.55418703
_cell_length_c 5.15062600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTh
_chemical_formula_sum 'La1 Th1'
_cell_volume 65.06397180
_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
La La0 1 0.00000000 0.00000000 0.00000000 1
Th Th1 1 1.77709351 1.77709351 2.57531300 1
[/CIF]
| LaTh | P4/mmm | 123 | tetragonal | 4/mmm | 9,467.086101 | false |
[CIF]
data_La2Bi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.71927644
_cell_length_b 5.71927644
_cell_length_c 6.81119045
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural La2Bi3
_chemical_formula_sum 'La2 Bi3'
_cell_volume 192.94602374
_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 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 2.85963822 1.65101290 4.38485962 1
Bi Bi2 1 -0.00000000 3.30202579 2.42633083 1
La La3 1 2.85963822 1.65101290 1.07610182 1
La La4 1 -0.00000000 3.30202579 5.73508863 1
[/CIF]
| Bi3La2 | P-3m1 | 164 | trigonal | -3m | 7,786.510679 | false |
[CIF]
data_TaFe2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.65111871
_cell_length_b 4.65111871
_cell_length_c 4.65111871
_cell_angle_alpha 129.84508749
_cell_angle_beta 129.84508749
_cell_angle_gamma 73.65453940
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaFe2Au
_chemical_formula_sum 'Ta1 Fe2 Au1'
_cell_volume 57.87281358
_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 0.00000000 0.00000000 3.72297019 1
Fe Fe1 1 0.00000000 1.97134449 1.86148510 1
Fe Fe2 1 1.97134449 0.00000000 1.86148510 1
Ta Ta3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuFe2Ta | I4/mmm | 139 | tetragonal | 4/mmm | 14,048.173304 | false |
[CIF]
data_ScHgF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.25559533
_cell_length_b 4.25559533
_cell_length_c 4.25559533
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScHgF3
_chemical_formula_sum 'Sc1 Hg1 F3'
_cell_volume 77.06922129
_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 0.00000000 0.00000000 0.00000000 1
Hg Hg1 1 2.12779767 2.12779767 2.12779767 1
F F2 1 0.00000000 2.12779767 0.00000000 1
F F3 1 0.00000000 0.00000000 2.12779767 1
F F4 1 2.12779767 0.00000000 0.00000000 1
[/CIF]
| F3HgSc | Pm-3m | 221 | cubic | m-3m | 6,518.573086 | false |
[CIF]
data_Zr2CrRe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.80376859
_cell_length_b 8.80376859
_cell_length_c 8.80376859
_cell_angle_alpha 20.74721774
_cell_angle_beta 20.74721774
_cell_angle_gamma 20.74721774
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr2CrRe
_chemical_formula_sum 'Zr2 Cr1 Re1'
_cell_volume 74.96588761
_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 0.00000000 1
Re Re1 1 0.00000000 -0.00000000 12.91704762 1
Zr Zr2 1 -0.00000000 -0.00000000 19.42651653 1
Zr Zr3 1 -0.00000000 -0.00000000 6.40757872 1
[/CIF]
| CrReZr2 | R-3m | 166 | trigonal | -3m | 9,317.672442 | false |
[CIF]
data_SrNbCoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68518170
_cell_length_b 4.68518170
_cell_length_c 4.68518170
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrNbCoW
_chemical_formula_sum 'Sr1 Nb1 Co1 W1'
_cell_volume 72.72174920
_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
Co Co0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 3.31292375 3.31292375 3.31292375 1
Sr Sr2 1 1.65646187 1.65646188 1.65646188 1
W W3 1 4.96938563 4.96938563 4.96938562 1
[/CIF]
| CoNbSrW | F-43m | 216 | cubic | -43m | 9,665.68446 | false |
[CIF]
data_Sr3Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.77470715
_cell_length_b 5.77470715
_cell_length_c 4.89739588
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 92.42085019
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr3Mo
_chemical_formula_sum 'Sr3 Mo1'
_cell_volume 163.16889463
_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 3.99616570 0.00000000 0.00000000 1
Sr Sr1 1 1.99808285 -2.08434056 2.44869794 1
Sr Sr2 1 1.99808285 2.08434057 2.44869794 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| MoSr3 | Cmmm | 65 | orthorhombic | mmm | 3,651.643466 | false |
[CIF]
data_CuRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.66401474
_cell_length_b 2.66401474
_cell_length_c 4.32190900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CuRh
_chemical_formula_sum 'Cu1 Rh1'
_cell_volume 26.56314531
_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
Rh Rh1 1 1.33200736 0.76903482 2.16095450 1
[/CIF]
| CuRh | P-6m2 | 187 | hexagonal | -6m2 | 10,405.401971 | false |
[CIF]
data_TeRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23738920
_cell_length_b 5.23738920
_cell_length_c 5.23738920
_cell_angle_alpha 143.43691033
_cell_angle_beta 143.43691033
_cell_angle_gamma 52.67014589
_symmetry_Int_Tables_number 1
_chemical_formula_structural TeRh2
_chemical_formula_sum 'Te1 Rh2'
_cell_volume 50.67675203
_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
Rh Rh0 1 0.00000000 -0.00000000 6.17478572 1
Rh Rh1 1 0.00000000 -0.00000000 3.21286824 1
Te Te2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Rh2Te | I4/mmm | 139 | tetragonal | 4/mmm | 10,924.969903 | false |
[CIF]
data_LaEuAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42414682
_cell_length_b 5.42414682
_cell_length_c 5.42414682
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaEuAg2
_chemical_formula_sum 'La1 Eu1 Ag2'
_cell_volume 112.84421818
_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
La La0 1 0.00000000 0.00000000 0.00000000 1
Eu Eu1 1 3.83545100 3.83545100 3.83545100 1
Ag Ag2 1 5.75317650 5.75317650 5.75317650 1
Ag Ag3 1 1.91772550 1.91772550 1.91772550 1
[/CIF]
| Ag2EuLa | Fm-3m | 225 | cubic | m-3m | 7,454.868775 | false |
[CIF]
data_Sm2ErSc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.53081571
_cell_length_b 5.53081571
_cell_length_c 5.53081571
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm2ErSc
_chemical_formula_sum 'Sm2 Er1 Sc1'
_cell_volume 119.63343319
_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
Er Er0 1 3.91087730 3.91087730 3.91087730 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Sm Sm2 1 1.95543865 1.95543865 1.95543865 1
Sm Sm3 1 5.86631594 5.86631594 5.86631594 1
[/CIF]
| ErScSm2 | Fm-3m | 225 | cubic | m-3m | 7,119.652402 | false |
[CIF]
data_TiZnBi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64647989
_cell_length_b 5.64647989
_cell_length_c 5.64647989
_cell_angle_alpha 147.26944051
_cell_angle_beta 140.26227591
_cell_angle_gamma 52.39593777
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiZnBi
_chemical_formula_sum 'Ti1 Zn1 Bi1'
_cell_volume 61.87408688
_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 0.00000000 0.00000000 0.05645747 1
Ti Ti1 1 -0.00000000 -0.00000000 6.97610324 1
Zn Zn2 1 -0.00000000 0.00000000 3.10031881 1
[/CIF]
| BiTiZn | Imm2 | 44 | orthorhombic | mm2 | 8,647.742747 | false |
[CIF]
data_TcAg2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83042179
_cell_length_b 5.83042179
_cell_length_c 3.02470573
_cell_angle_alpha 103.50002990
_cell_angle_beta 103.50002990
_cell_angle_gamma 124.54078980
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcAg2Sb
_chemical_formula_sum 'Tc1 Ag2 Sb1'
_cell_volume 73.26523745
_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 0.59768200 2.58040861 1.30823860 1
Ag Ag1 1 0.59768200 -2.58040861 1.30823860 1
Sb Sb2 1 2.71289218 -0.00000000 0.00000000 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Ag2SbTc | C2/m | 12 | monoclinic | 2/m | 9,890.960451 | false |
[CIF]
data_CdOs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.76389831
_cell_length_b 2.76389831
_cell_length_c 9.66374677
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.58645361
_symmetry_Int_Tables_number 1
_chemical_formula_structural CdOs3
_chemical_formula_sum 'Cd1 Os3'
_cell_volume 64.19704398
_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
Os Os1 1 0.00000000 0.00000000 4.83187338 1
Os Os2 1 1.39057836 0.00000000 7.06599538 1
Os Os3 1 1.39057836 0.00000000 2.59775139 1
[/CIF]
| CdOs3 | Cmmm | 65 | orthorhombic | mmm | 17,669.285478 | false |
[CIF]
data_YNi2Os
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.97964226
_cell_length_b 8.97964226
_cell_length_c 8.97964226
_cell_angle_alpha 18.16916577
_cell_angle_beta 18.16916577
_cell_angle_gamma 18.16916577
_symmetry_Int_Tables_number 1
_chemical_formula_structural YNi2Os
_chemical_formula_sum 'Y1 Ni2 Os1'
_cell_volume 61.48219233
_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
Ni Ni0 1 -0.00000000 0.00000000 0.27858407 1
Ni Ni1 1 -0.00000000 -0.00000000 19.80698265 1
Os Os2 1 -0.00000000 0.00000000 12.91312460 1
Y Y3 1 -0.00000000 0.00000000 6.73243551 1
[/CIF]
| Ni2OsY | R3m | 160 | trigonal | 3m | 10,709.464402 | false |
[CIF]
data_TePb2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67238059
_cell_length_b 5.67238059
_cell_length_c 5.67238059
_cell_angle_alpha 131.57733451
_cell_angle_beta 118.79438349
_cell_angle_gamma 81.64545745
_symmetry_Int_Tables_number 1
_chemical_formula_structural TePb2Au
_chemical_formula_sum 'Te1 Pb2 Au1'
_cell_volume 115.34077684
_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 0.00000000 0.00000000 4.29249341 1
Pb Pb1 1 2.32626278 -0.00000000 2.39774930 1
Pb Pb2 1 0.00000000 2.88771595 1.89474411 1
Te Te3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuPb2Te | Immm | 71 | orthorhombic | mmm | 10,638.760119 | false |
[CIF]
data_CaTlNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.85227591
_cell_length_b 4.85227591
_cell_length_c 4.85227591
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaTlNi
_chemical_formula_sum 'Ca1 Tl1 Ni1'
_cell_volume 80.78327678
_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
Ni Ni1 1 5.14661580 5.14661580 5.14661580 1
Tl Tl2 1 1.71553860 1.71553860 1.71553860 1
[/CIF]
| CaNiTl | F-43m | 216 | cubic | -43m | 6,231.490509 | false |
[CIF]
data_AlAgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.37669946
_cell_length_b 6.37669946
_cell_length_c 6.37669946
_cell_angle_alpha 152.88409691
_cell_angle_beta 152.88409691
_cell_angle_gamma 38.72361354
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlAgGe
_chemical_formula_sum 'Al1 Ag1 Ge1'
_cell_volume 53.77564413
_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 11.92476725 1
Al Al1 1 -0.00000000 0.00000000 4.04984805 1
Ge Ge2 1 0.00000000 0.00000000 8.08961667 1
[/CIF]
| AgAlGe | I4mm | 107 | tetragonal | 4mm | 6,407.07931 | false |
[CIF]
data_KSnHgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17651456
_cell_length_b 5.17651456
_cell_length_c 5.17651456
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KSnHgPt
_chemical_formula_sum 'K1 Sn1 Hg1 Pt1'
_cell_volume 98.08380889
_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 1.83017428 1.83017428 1.83017428 1
K K1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 5.49052283 5.49052283 5.49052283 1
Sn Sn3 1 3.66034855 3.66034855 3.66034855 1
[/CIF]
| HgKPtSn | F-43m | 216 | cubic | -43m | 9,370.343508 | false |
[CIF]
data_Co4MoPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69762982
_cell_length_b 4.69762982
_cell_length_c 4.69762982
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co4MoPd
_chemical_formula_sum 'Co4 Mo1 Pd1'
_cell_volume 73.30293671
_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
Co Co0 1 2.49092904 2.49092904 4.15252276 1
Co Co1 1 2.49092904 4.15252276 2.49092904 1
Co Co2 1 4.15252276 2.49092904 2.49092904 1
Co Co3 1 4.15252276 4.15252276 4.15252276 1
Mo Mo4 1 0.00000000 0.00000000 0.00000000 1
Pd Pd5 1 1.66086295 1.66086295 1.66086295 1
[/CIF]
| Co4MoPd | F-43m | 216 | cubic | -43m | 9,924.614476 | false |
[CIF]
data_AlNi7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58000000
_cell_length_b 5.58000000
_cell_length_c 2.79000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi7
_chemical_formula_sum 'Al1 Ni7'
_cell_volume 86.87055600
_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
Ni Ni1 1 1.39500000 1.39500000 1.39500000 1
Ni Ni2 1 2.79000000 2.79000000 0.00000000 1
Ni Ni3 1 4.18500000 4.18500000 1.39500000 1
Ni Ni4 1 2.79000000 0.00000000 0.00000000 1
Ni Ni5 1 4.18500000 1.39500000 1.39500000 1
Ni Ni6 1 0.00000000 2.79000000 0.00000000 1
Ni Ni7 1 1.39500000 4.18500000 1.39500000 1
[/CIF]
| AlNi7 | P4/mmm | 123 | tetragonal | 4/mmm | 8,369.264777 | false |
[CIF]
data_Rb3NiSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.83143476
_cell_length_b 5.83143476
_cell_length_c 5.83143476
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Rb3NiSe
_chemical_formula_sum 'Rb3 Ni1 Se1'
_cell_volume 198.30162075
_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
Ni Ni0 1 0.00000000 0.00000000 0.00000000 1
Se Se1 1 2.91571738 2.91571738 2.91571738 1
Rb Rb2 1 0.00000000 2.91571738 0.00000000 1
Rb Rb3 1 0.00000000 0.00000000 2.91571738 1
Rb Rb4 1 2.91571738 0.00000000 0.00000000 1
[/CIF]
| NiRb3Se | Pm-3m | 221 | cubic | m-3m | 3,299.754729 | false |
[CIF]
data_NaCd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76107522
_cell_length_b 5.76107522
_cell_length_c 5.76107522
_cell_angle_alpha 131.80099703
_cell_angle_beta 131.80099703
_cell_angle_gamma 70.54351260
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCd2Pb
_chemical_formula_sum 'Na1 Cd2 Pb1'
_cell_volume 104.10993410
_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 2.35237674 2.35173526 1
Cd Cd1 1 2.35237674 0.00000000 2.35173527 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Pb Pb3 1 -0.00000000 -0.00000000 4.70347053 1
[/CIF]
| Cd2NaPb | I4/mmm | 139 | tetragonal | 4/mmm | 7,257.374862 | false |
[CIF]
data_YMn2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.79830531
_cell_length_b 4.79830531
_cell_length_c 4.79830531
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YMn2Cd
_chemical_formula_sum 'Y1 Mn2 Cd1'
_cell_volume 78.11755384
_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 3.39291422 3.39291422 3.39291422 1
Mn Mn1 1 5.08937133 5.08937133 5.08937133 1
Mn Mn2 1 1.69645711 1.69645711 1.69645711 1
Y Y3 1 0.00000000 -0.00000000 0.00000000 1
[/CIF]
| CdMn2Y | Fm-3m | 225 | cubic | m-3m | 6,615.005319 | false |
[CIF]
data_Sc5Cd3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.76743263
_cell_length_b 8.76743263
_cell_length_c 5.53363341
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sc5Cd3
_chemical_formula_sum 'Sc10 Cd6'
_cell_volume 368.37138842
_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
Cd Cd0 1 -1.75896490 3.04661657 1.38340835 1
Cd Cd1 1 -2.62475141 4.54620281 4.15022506 1
Cd Cd2 1 3.51792980 0.00000000 1.38340835 1
Cd Cd3 1 1.75896490 3.04661657 4.15022506 1
Cd Cd4 1 5.24950283 0.00000000 4.15022506 1
Cd Cd5 1 2.62475141 4.54620281 1.38340835 1
Sc Sc6 1 -1.01055237 1.75032804 4.15022506 1
Sc Sc7 1 -3.37316395 5.84249134 1.38340835 1
Sc Sc8 1 2.02110473 0.00000000 4.15022506 1
Sc Sc9 1 1.01055237 1.75032804 1.38340835 1
Sc Sc10 1 0.00000000 5.06187959 2.76681671 1
Sc Sc11 1 -0.00000000 5.06187959 0.00000000 1
Sc Sc12 1 4.38371631 2.53093979 2.76681671 1
Sc Sc13 1 4.38371631 2.53093979 0.00000000 1
Sc Sc14 1 6.74632789 0.00000000 1.38340835 1
Sc Sc15 1 3.37316395 5.84249134 4.15022506 1
[/CIF]
| Cd6Sc10 | P6_3/mcm | 193 | hexagonal | 6/mmm | 5,066.895667 | false |
[CIF]
data_Mg2VIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84266218
_cell_length_b 4.84266218
_cell_length_c 4.84266218
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2VIn
_chemical_formula_sum 'Mg2 V1 In1'
_cell_volume 80.30406424
_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 3.42427927 3.42427927 3.42427927 1
Mg Mg1 1 5.13641891 5.13641891 5.13641891 1
Mg Mg2 1 1.71213964 1.71213964 1.71213963 1
V V3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InMg2V | Fm-3m | 225 | cubic | m-3m | 4,432.763557 | false |
[CIF]
data_Ba2NaNi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94465699
_cell_length_b 4.01168759
_cell_length_c 9.33330035
_cell_angle_alpha 90.00000000
_cell_angle_beta 94.42793828
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ba2NaNi
_chemical_formula_sum 'Ba2 Na1 Ni1'
_cell_volume 147.25612964
_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 1.30075344 2.00584380 6.44124678 1
Ba Ba1 1 1.92332426 2.00584380 2.86419577 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Ni Ni3 1 -0.36028964 0.00000000 4.65272127 1
[/CIF]
| Ba2NaNi | P2/m | 10 | monoclinic | 2/m | 4,018.248965 | false |
[CIF]
data_AlVCrW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.30014337
_cell_length_b 4.30014337
_cell_length_c 4.30014337
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlVCrW
_chemical_formula_sum 'Al1 V1 Cr1 W1'
_cell_volume 56.22556264
_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
Cr Cr1 1 1.52033027 1.52033027 1.52033027 1
V V2 1 4.56099081 4.56099081 4.56099081 1
W W3 1 3.04066054 3.04066054 3.04066054 1
[/CIF]
| AlCrVW | F-43m | 216 | cubic | -43m | 9,266.413402 | false |
[CIF]
data_LiHfB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.00412165
_cell_length_b 3.00412165
_cell_length_c 6.91672893
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 117.48411148
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiHfB2
_chemical_formula_sum 'Li1 Hf1 B2'
_cell_volume 55.37673963
_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 1.55881406 0.00000000 6.32251683 1
B B1 1 0.00000000 0.00000000 5.84852834 1
Hf Hf2 1 1.55881406 0.00000000 3.93543187 1
Li Li3 1 0.00000000 0.00000000 1.18534529 1
[/CIF]
| B2HfLi | Cmm2 | 35 | orthorhombic | mm2 | 6,208.736694 | false |
[CIF]
data_CaYInIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.96274213
_cell_length_b 4.96274213
_cell_length_c 4.96274213
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaYInIr
_chemical_formula_sum 'Ca1 Y1 In1 Ir1'
_cell_volume 86.42713743
_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
In In1 1 5.26378292 5.26378292 5.26378292 1
Ir Ir2 1 3.50918861 3.50918861 3.50918861 1
Y Y3 1 1.75459431 1.75459431 1.75459431 1
[/CIF]
| CaInIrY | F-43m | 216 | cubic | -43m | 8,377.303191 | false |
[CIF]
data_K2YIn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.15927324
_cell_length_b 5.42090478
_cell_length_c 6.61556923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K2YIn
_chemical_formula_sum 'K2 Y1 In1'
_cell_volume 149.16139945
_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 0.00000000 2.71045239 3.30778462 1
K K1 1 0.00000000 0.00000000 0.00000000 1
K K2 1 2.07963662 2.71045239 0.00000000 1
Y Y3 1 2.07963662 0.00000000 3.30778462 1
[/CIF]
| InK2Y | Pmmm | 47 | orthorhombic | mmm | 3,138.479008 | false |
[CIF]
data_YSnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.76909037
_cell_length_b 4.76909037
_cell_length_c 4.76909037
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSnPd
_chemical_formula_sum 'Y1 Sn1 Pd1'
_cell_volume 76.69934548
_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
Pd Pd0 1 3.37225614 3.37225614 3.37225614 1
Sn Sn1 1 5.05838421 5.05838421 5.05838421 1
Y Y2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PdSnY | F-43m | 216 | cubic | -43m | 6,798.868934 | false |
[CIF]
data_NbCr2Ag
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44056477
_cell_length_b 4.44056477
_cell_length_c 4.44056477
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbCr2Ag
_chemical_formula_sum 'Nb1 Cr2 Ag1'
_cell_volume 61.91553485
_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 3.13995346 3.13995346 3.13995346 1
Cr Cr1 1 4.70993019 4.70993019 4.70993019 1
Cr Cr2 1 1.56997673 1.56997673 1.56997673 1
Nb Nb3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AgCr2Nb | Fm-3m | 225 | cubic | m-3m | 8,173.669914 | false |
[CIF]
data_Ta4MnAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34685615
_cell_length_b 5.34685615
_cell_length_c 5.34685615
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta4MnAu
_chemical_formula_sum 'Ta4 Mn1 Au1'
_cell_volume 108.08875189
_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 5.67119736 5.67119736 5.67119736 1
Mn Mn1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 4.73747393 4.73747393 2.82412255 1
Ta Ta3 1 4.73747393 2.82412255 4.73747393 1
Ta Ta4 1 2.82412255 4.73747393 4.73747393 1
Ta Ta5 1 2.82412255 2.82412255 2.82412255 1
[/CIF]
| AuMnTa4 | F-43m | 216 | cubic | -43m | 14,989.363087 | false |
[CIF]
data_SiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.81213921
_cell_length_b 10.81213921
_cell_length_c 10.81213921
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiO2
_chemical_formula_sum 'Si8 O16'
_cell_volume 893.75788814
_cell_formula_units_Z 8
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
O O0 1 5.73400271 5.73400271 1.91133424 1
O O1 1 1.91133424 1.91133424 1.91133424 1
O O2 1 5.73400271 1.91133424 5.73400271 1
O O3 1 1.91133424 5.73400271 5.73400271 1
O O4 1 3.82266848 3.82266848 5.70164924 1
O O5 1 3.82266848 3.82266848 1.94368771 1
O O6 1 5.70164924 3.82266848 3.82266848 1
O O7 1 3.82266848 5.70164924 3.82266848 1
O O8 1 1.94368771 3.82266848 3.82266848 1
O O9 1 3.82266848 1.94368771 3.82266848 1
O O10 1 7.64533695 7.64533695 13.41169314 1
O O11 1 7.64533695 7.64533695 1.87898076 1
O O12 1 7.64533695 13.41169314 7.64533695 1
O O13 1 13.41169314 7.64533695 7.64533695 1
O O14 1 7.64533695 1.87898076 7.64533695 1
O O15 1 1.87898076 7.64533695 7.64533695 1
Si Si16 1 4.81015975 4.81015975 2.83517721 1
Si Si17 1 2.83517721 2.83517721 2.83517721 1
Si Si18 1 4.81015975 2.83517721 4.81015975 1
Si Si19 1 2.83517721 4.81015975 4.81015975 1
Si Si20 1 6.65784568 6.65784568 0.98749127 1
Si Si21 1 0.98749127 0.98749127 0.98749127 1
Si Si22 1 0.98749127 6.65784568 6.65784568 1
Si Si23 1 6.65784568 0.98749127 6.65784568 1
[/CIF]
| O16Si8 | Fd-3m | 227 | cubic | m-3m | 893.059105 | false |
[CIF]
data_CsRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.28744334
_cell_length_b 3.28744334
_cell_length_c 5.88534300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CsRu
_chemical_formula_sum 'Cs1 Ru1'
_cell_volume 55.08317484
_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 -0.00000000 1.89800630 2.94267150 1
Ru Ru1 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| CsRu | P-6m2 | 187 | hexagonal | -6m2 | 7,053.217527 | false |
[CIF]
data_YSnHg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59025854
_cell_length_b 3.59025854
_cell_length_c 7.91559681
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 94.30687623
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSnHg2
_chemical_formula_sum 'Y1 Sn1 Hg2'
_cell_volume 101.74357330
_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 2.44150991 0.00000000 2.02277330 1
Hg Hg1 1 2.44150991 0.00000000 5.89282351 1
Sn Sn2 1 0.00000000 0.00000000 3.95779840 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg2SnY | Cmmm | 65 | orthorhombic | mmm | 9,936.0506 | false |
[CIF]
data_KIr2Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.18985788
_cell_length_b 5.18985788
_cell_length_c 2.67211124
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 112.18124137
_symmetry_Int_Tables_number 1
_chemical_formula_structural KIr2Ru
_chemical_formula_sum 'K1 Ir2 Ru1'
_cell_volume 66.64594789
_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 1.44766148 -2.15358594 1.33605562 1
Ir Ir1 1 1.44766148 2.15358595 1.33605562 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Ru Ru3 1 2.89532297 -0.00000000 0.00000000 1
[/CIF]
| Ir2KRu | Cmmm | 65 | orthorhombic | mmm | 13,070.9014 | false |
[CIF]
data_ZrTlRuPb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.97441717
_cell_length_b 4.97441717
_cell_length_c 4.97441717
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrTlRuPb
_chemical_formula_sum 'Zr1 Tl1 Ru1 Pb1'
_cell_volume 87.03854294
_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
Pb Pb0 1 5.27616617 5.27616617 5.27616617 1
Ru Ru1 1 1.75872206 1.75872206 1.75872206 1
Tl Tl2 1 3.51744411 3.51744411 3.51744411 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PbRuTlZr | F-43m | 216 | cubic | -43m | 11,520.894241 | false |
[CIF]
data_NiBiAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.41907494
_cell_length_b 3.41907494
_cell_length_c 6.96083952
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiBiAs2
_chemical_formula_sum 'Ni1 Bi1 As2'
_cell_volume 81.37272523
_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 1.70953747 1.70953747 6.77931892 1
As As1 1 0.00000000 0.00000000 1.13329094 1
Bi Bi2 1 1.70953747 1.70953747 3.85329008 1
Ni Ni3 1 0.00000000 0.00000000 5.63619886 1
[/CIF]
| As2BiNi | P4mm | 99 | tetragonal | 4mm | 8,520.094264 | false |
[CIF]
data_ZnHg3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.10173866
_cell_length_b 5.10173866
_cell_length_c 5.10173866
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnHg3
_chemical_formula_sum 'Zn1 Hg3'
_cell_volume 93.89438567
_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 1.80373700 1.80373700 1.80373700 1
Hg Hg1 1 5.41121100 5.41121100 5.41121100 1
Hg Hg2 1 3.60747400 3.60747400 3.60747400 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Hg3Zn | Fm-3m | 225 | cubic | m-3m | 11,798.667518 | false |
[CIF]
data_BiPtCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.62365743
_cell_length_b 8.62365743
_cell_length_c 8.62365743
_cell_angle_alpha 23.67713532
_cell_angle_beta 23.67713532
_cell_angle_gamma 23.67713532
_symmetry_Int_Tables_number 1
_chemical_formula_structural BiPtCl2
_chemical_formula_sum 'Bi1 Pt1 Cl2'
_cell_volume 90.84223180
_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 0.00000000 0.00000000 12.56728880 1
Cl Cl1 1 0.00000000 0.00000000 6.77576636 1
Cl Cl2 1 0.00000000 -0.00000000 18.35881124 1
Pt Pt3 1 -0.00000000 0.00000000 0.00000000 1
[/CIF]
| BiCl2Pt | R-3m | 166 | trigonal | -3m | 8,682.161248 | false |
[CIF]
data_Mg2BiBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39564239
_cell_length_b 5.39564239
_cell_length_c 3.54070464
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg2BiBr
_chemical_formula_sum 'Mg2 Bi1 Br1'
_cell_volume 103.08038116
_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 2.69782119 2.69782119 0.00000000 1
Br Br1 1 0.00000000 0.00000000 0.00000000 1
Mg Mg2 1 0.00000000 2.69782119 1.77035232 1
Mg Mg3 1 2.69782119 0.00000000 1.77035232 1
[/CIF]
| BiBrMg2 | P4/mmm | 123 | tetragonal | 4/mmm | 5,436.816819 | false |
[CIF]
data_Be2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.64915205
_cell_length_b 6.64915205
_cell_length_c 3.66279440
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2Sn
_chemical_formula_sum 'Be6 Sn3'
_cell_volume 140.24122684
_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
Be Be0 1 1.78509237 0.00000000 1.83139720 1
Be Be1 1 -0.89254618 1.54593534 1.83139720 1
Be Be2 1 2.43202984 4.21239925 1.83139720 1
Be Be3 1 4.16996647 0.00000000 0.00000000 1
Be Be4 1 -2.08498324 3.61129690 0.00000000 1
Be Be5 1 1.23959279 2.14703769 0.00000000 1
Sn Sn6 1 0.00000000 3.83888973 1.83139720 1
Sn Sn7 1 3.32457603 1.91944486 1.83139720 1
Sn Sn8 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Be6Sn3 | P-62m | 189 | hexagonal | -6m2 | 4,857.047207 | false |
[CIF]
data_NaZnRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.43860744
_cell_length_b 4.43860744
_cell_length_c 4.43860744
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaZnRh2
_chemical_formula_sum 'Na1 Zn1 Rh2'
_cell_volume 61.83369687
_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
Rh Rh1 1 3.13856942 3.13856942 3.13856942 1
Rh Rh2 1 4.70785413 4.70785413 4.70785413 1
Zn Zn3 1 1.56928471 1.56928471 1.56928471 1
[/CIF]
| NaRh2Zn | F-43m | 216 | cubic | -43m | 7,900.201423 | false |
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