Datasets:
n0w0f
/
nomad-structure-csv

Dataset card Data Studio Files Community
1
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_Sc2FeP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49212515 _cell_length_b 4.49212515 _cell_length_c 4.49212515 _cell_angle_alpha 120.84606530 _cell_angle_beta 120.84606530 _cell_angle_gamma 88.54071405 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2FeP _chemical_formula_sum 'Sc2 Fe1 P1' _cell_volume 63.25546219 _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 3.21660407 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 0.00000000 2.21727836 1.60830204 1 Sc Sc3 1 2.21727835 0.00000000 1.60830204 1 [/CIF]
FePSc2
I4/mmm
139
tetragonal
4/mmm
4,639.443392
false
[CIF] data_VCu2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95630799 _cell_length_b 4.95630799 _cell_length_c 4.95630799 _cell_angle_alpha 141.95553119 _cell_angle_beta 134.42135511 _cell_angle_gamma 60.82607984 _symmetry_Int_Tables_number 1 _chemical_formula_structural VCu2Mo _chemical_formula_sum 'V1 Cu2 Mo1' _cell_volume 53.02375610 _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 1.61543450 0.00000000 2.10533740 1 Cu Cu1 1 -0.00000000 1.91979509 2.16897507 1 Mo Mo2 1 0.00000000 0.00000000 4.27431247 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cu2MoV
Immm
71
orthorhombic
mmm
8,580.625755
false
[CIF] data_Sr2GeSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67549548 _cell_length_b 5.54644140 _cell_length_c 6.64086859 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2GeSb _chemical_formula_sum 'Sr2 Ge1 Sb1' _cell_volume 135.38021777 _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 2.44271142 1 Sb Sb1 1 1.83774774 2.77322070 5.84497244 1 Sr Sr2 1 0.00000000 0.00000000 5.79774451 1 Sr Sr3 1 1.83774774 2.77322070 2.51674310 1 [/CIF]
GeSbSr2
Pmm2
25
orthorhombic
mm2
4,533.909538
false
[CIF] data_ScCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.19846156 _cell_length_b 3.19846156 _cell_length_c 7.61262925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Cu _chemical_formula_sum 'Sc1 Cd2 Cu1' _cell_volume 77.87838747 _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 1.59923078 1.59923078 0.00145120 1 Cd Cd1 1 0.00000000 0.00000000 2.16062321 1 Cu Cu2 1 1.59923078 1.59923078 3.81506740 1 Sc Sc3 1 0.00000000 0.00000000 5.44180200 1 [/CIF]
Cd2CuSc
P4mm
99
tetragonal
4mm
7,107.550752
false
[CIF] data_LaFeGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16331656 _cell_length_b 3.16331656 _cell_length_c 7.18684311 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaFeGe2 _chemical_formula_sum 'La1 Fe1 Ge2' _cell_volume 71.91566058 _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 Ge Ge1 1 1.58165828 1.58165828 1.33833026 1 Ge Ge2 1 1.58165828 1.58165828 5.84851285 1 La La3 1 0.00000000 0.00000000 3.59342156 1 [/CIF]
FeGe2La
P4/mmm
123
tetragonal
4/mmm
7,851.334114
false
[CIF] data_Tl3Cd2I7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.05574000 _cell_length_b 15.23080700 _cell_length_c 4.58733300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl3Cd2I7 _chemical_formula_sum 'Tl6 Cd4 I14' _cell_volume 982.05745594 _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 3.38306004 13.51920851 0.00000000 1 Cd Cd1 1 3.64480996 5.90380501 0.00000000 1 Cd Cd2 1 10.41093004 9.32700199 0.00000000 1 Cd Cd3 1 10.67267996 1.71159849 0.00000000 1 I I4 1 2.19076011 12.26733853 2.29366650 1 I I5 1 4.83710989 4.65193503 2.29366650 1 I I6 1 9.21863011 10.57887197 2.29366650 1 I I7 1 11.86497989 2.96346847 2.29366650 1 I I8 1 0.00000000 0.00000000 0.00000000 1 I I9 1 0.95518016 4.84477852 0.00000000 1 I I10 1 2.86999011 8.59817848 0.00000000 1 I I11 1 4.15787989 0.98277498 0.00000000 1 I I12 1 6.07268984 12.46018202 0.00000000 1 I I13 1 7.02787000 7.61540350 0.00000000 1 I I14 1 7.98305016 2.77062498 0.00000000 1 I I15 1 9.89786011 14.24803202 0.00000000 1 I I16 1 11.18574989 6.63262852 0.00000000 1 I I17 1 13.10055984 10.38602848 0.00000000 1 Tl Tl18 1 0.00000000 7.61540350 2.29366650 1 Tl Tl19 1 1.49766018 2.08796849 2.29366650 1 Tl Tl20 1 5.53020982 9.70337199 2.29366650 1 Tl Tl21 1 7.02787000 0.00000000 2.29366650 1 Tl Tl22 1 8.52553018 5.52743501 2.29366650 1 Tl Tl23 1 12.55807982 13.14283851 2.29366650 1 [/CIF]
Cd4I14Tl6
Pbam
55
orthorhombic
mmm
5,837.935185
false
[CIF] data_YReHgSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89297147 _cell_length_b 4.89297147 _cell_length_c 4.89297147 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YReHgSe _chemical_formula_sum 'Y1 Re1 Hg1 Se1' _cell_volume 82.83293569 _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 Y Y0 1 3.45985331 3.45985331 3.45985331 1 Re Re1 1 1.72992665 1.72992665 1.72992665 1 Se Se2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 5.18977996 5.18977996 5.18977996 1 [/CIF]
HgReSeY
F-43m
216
cubic
-43m
11,119.240475
false
[CIF] data_BaIn2Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52188675 _cell_length_b 5.52188675 _cell_length_c 5.52188675 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaIn2Ge _chemical_formula_sum 'Ba1 In2 Ge1' _cell_volume 119.05495838 _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 5.85684535 5.85684535 5.85684535 1 Ge Ge1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 1.95228178 1.95228178 1.95228178 1 In In3 1 3.90456356 3.90456356 3.90456356 1 [/CIF]
BaGeIn2
F-43m
216
cubic
-43m
6,132.086406
false
[CIF] data_KScBeCo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76478011 _cell_length_b 4.76478011 _cell_length_c 4.76478011 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KScBeCo _chemical_formula_sum 'K1 Sc1 Be1 Co1' _cell_volume 76.49157317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 3.36920833 3.36920833 3.36920833 1 K K2 1 1.68460417 1.68460416 1.68460417 1 Sc Sc3 1 5.05381250 5.05381250 5.05381250 1 [/CIF]
BeCoKSc
F-43m
216
cubic
-43m
3,299.726299
false
[CIF] data_TcC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.66939405 _cell_length_b 5.66939405 _cell_length_c 2.90383063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcC2 _chemical_formula_sum 'Tc3 C6' _cell_volume 80.83048790 _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 C C0 1 1.54037785 0.00000000 1.45191531 1 C C1 1 -0.77018892 1.33400635 1.45191531 1 C C2 1 2.06450810 3.57583292 1.45191531 1 C C3 1 3.49833222 0.00000000 0.00000000 1 C C4 1 -1.74916611 3.02964458 0.00000000 1 C C5 1 1.08553091 1.88019469 0.00000000 1 Tc Tc6 1 0.00000000 3.27322618 1.45191531 1 Tc Tc7 1 2.83469702 1.63661309 1.45191531 1 Tc Tc8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C6Tc3
P-62m
189
hexagonal
-6m2
7,576.080052
false
[CIF] data_YFeCuHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75361545 _cell_length_b 4.75361545 _cell_length_c 4.75361545 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YFeCuHg _chemical_formula_sum 'Y1 Fe1 Cu1 Hg1' _cell_volume 75.95513504 _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 1.68065686 1.68065686 1.68065686 1 Fe Fe1 1 0.00000000 0.00000000 0.00000000 1 Hg Hg2 1 3.36131372 3.36131372 3.36131372 1 Y Y3 1 5.04197058 5.04197058 5.04197058 1 [/CIF]
CuFeHgY
F-43m
216
cubic
-43m
8,939.126866
false
[CIF] data_CuPtPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27888553 _cell_length_b 5.55268335 _cell_length_c 5.55268335 _cell_angle_alpha 40.65635289 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuPtPb2 _chemical_formula_sum 'Cu1 Pt1 Pb2' _cell_volume 85.95372217 _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 4.72523500 1 Pb Pb1 1 2.13944276 0.00000000 0.18999778 1 Pb Pb2 1 0.00000000 0.00000000 7.59017889 1 Pt Pt3 1 2.13944276 -0.00000000 3.16268290 1 [/CIF]
CuPb2Pt
Amm2
38
orthorhombic
mm2
13,002.526485
false
[CIF] data_Cs2LaTm _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.59377649 _cell_length_b 6.59377649 _cell_length_c 6.59377649 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cs2LaTm _chemical_formula_sum 'Cs2 La1 Tm1' _cell_volume 202.71583125 _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 2.33125203 2.33125203 2.33125203 1 Cs Cs1 1 6.99375610 6.99375610 6.99375610 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Tm Tm3 1 4.66250407 4.66250407 4.66250407 1 [/CIF]
Cs2LaTm
Fm-3m
225
cubic
m-3m
4,699.037066
false
[CIF] data_SrAl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09275582 _cell_length_b 6.09275582 _cell_length_c 6.09275582 _cell_angle_alpha 117.39514890 _cell_angle_beta 117.39514890 _cell_angle_gamma 94.57424027 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrAl2 _chemical_formula_sum 'Sr2 Al4' _cell_volume 165.65424747 _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 0.93300943 2.23251405 0.00000000 1 Al Al1 1 2.23251405 0.93300943 4.13286773 1 Al Al2 1 4.09853291 0.93300943 0.00000000 1 Al Al3 1 -0.93300943 2.23251405 4.13286773 1 Sr Sr4 1 -0.00000000 0.00000000 6.19930159 1 Sr Sr5 1 0.00000000 0.00000000 2.06643387 1 [/CIF]
Al4Sr2
I4/mcm
140
tetragonal
4/mmm
2,838.493241
false
[CIF] data_Y2TcPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.43118098 _cell_length_b 3.43118098 _cell_length_c 7.86603837 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 92.23323453 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcPd _chemical_formula_sum 'Y2 Tc1 Pd1' _cell_volume 92.53655590 _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 2.37847002 0.00000000 3.57451599 1 Tc Tc1 1 0.00000000 0.00000000 2.33711028 1 Y Y2 1 2.37847002 0.00000000 0.53904388 1 Y Y3 1 0.00000000 0.00000000 5.34838741 1 [/CIF]
PdTcY2
Cmm2
35
orthorhombic
mm2
6,875.287767
false
[CIF] data_Zr2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.25163835 _cell_length_b 7.25163835 _cell_length_c 4.14740412 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Pt _chemical_formula_sum 'Zr6 Pt3' _cell_volume 188.87708036 _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 Pt Pt0 1 0.00000000 0.00000000 0.00000000 1 Pt Pt1 1 0.00000000 4.18673535 2.07370206 1 Pt Pt2 1 3.62581918 2.09336768 2.07370206 1 Zr Zr3 1 -0.95891405 1.66088786 2.07370206 1 Zr Zr4 1 -2.16064421 3.74234555 0.00000000 1 Zr Zr5 1 1.91782810 0.00000000 2.07370206 1 Zr Zr6 1 2.66690512 4.61921517 2.07370206 1 Zr Zr7 1 4.32128842 0.00000000 0.00000000 1 Zr Zr8 1 1.46517496 2.53775748 0.00000000 1 [/CIF]
Pt3Zr6
P-62m
189
hexagonal
-6m2
9,957.374922
false
[CIF] data_LaCu2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.06356301 _cell_length_b 3.06356301 _cell_length_c 6.56815087 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaCu2B _chemical_formula_sum 'La1 Cu2 B1' _cell_volume 61.64484348 _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 5.53986193 1 Cu Cu1 1 1.53178151 1.53178151 6.33123392 1 Cu Cu2 1 0.00000000 0.00000000 1.10259036 1 La La3 1 1.53178151 1.53178151 3.44669103 1 [/CIF]
BCu2La
P4mm
99
tetragonal
4mm
7,456.481759
false
[CIF] data_RbZnCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57407889 _cell_length_b 4.57407889 _cell_length_c 4.57407889 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural RbZnCo2 _chemical_formula_sum 'Rb1 Zn1 Co2' _cell_volume 67.66996526 _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 4.85154330 4.85154330 4.85154330 1 Co Co1 1 1.61718110 1.61718110 1.61718110 1 Rb Rb2 1 3.23436220 3.23436220 3.23436220 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2RbZn
Fm-3m
225
cubic
m-3m
6,593.921078
false
[CIF] data_BPW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13475132 _cell_length_b 4.13475132 _cell_length_c 4.13475132 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BPW2 _chemical_formula_sum 'B1 P1 W2' _cell_volume 49.98425080 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 P P1 1 2.92371070 2.92371070 2.92371070 1 W W2 1 1.46185535 1.46185535 1.46185535 1 W W3 1 4.38556605 4.38556605 4.38556605 1 [/CIF]
BPW2
Fm-3m
225
cubic
m-3m
13,602.936151
false
[CIF] data_Pu2HgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99563304 _cell_length_b 4.99563304 _cell_length_c 4.99563304 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pu2HgPt _chemical_formula_sum 'Pu2 Hg1 Pt1' _cell_volume 88.15695692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.53244600 3.53244600 3.53244600 1 Pt Pt1 1 0.00000000 0.00000000 0.00000000 1 Pu Pu2 1 1.76622300 1.76622300 1.76622300 1 Pu Pu3 1 5.29866900 5.29866900 5.29866900 1 [/CIF]
HgPtPu2
Fm-3m
225
cubic
m-3m
16,645.030074
false
[CIF] data_LaAgTe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41829128 _cell_length_b 5.41829128 _cell_length_c 5.41829128 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaAgTe2 _chemical_formula_sum 'La1 Ag1 Te2' _cell_volume 112.47915591 _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 0.00000000 1 La La1 1 5.74696576 5.74696576 5.74696577 1 Te Te2 1 3.83131051 3.83131051 3.83131051 1 Te Te3 1 1.91565525 1.91565525 1.91565525 1 [/CIF]
AgLaTe2
F-43m
216
cubic
-43m
7,410.67874
false
[CIF] data_ScBeCo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.84797769 _cell_length_b 4.84797769 _cell_length_c 4.84797769 _cell_angle_alpha 143.72306505 _cell_angle_beta 132.02379719 _cell_angle_gamma 61.60120269 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScBeCo2 _chemical_formula_sum 'Sc1 Be1 Co2' _cell_volume 49.54753472 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 6.43027430 1 Co Co1 1 -0.00000000 1.97093039 4.10502926 1 Co Co2 1 0.00000000 0.00000000 1.96413977 1 Sc Sc3 1 1.50924585 -0.00000000 4.15732619 1 [/CIF]
BeCo2Sc
Imm2
44
orthorhombic
mm2
5,758.871259
false
[CIF] data_MnAs3Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61182917 _cell_length_b 4.61182917 _cell_length_c 4.61182917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnAs3Au _chemical_formula_sum 'Mn1 As3 Au1' _cell_volume 98.08884839 _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 2.30591459 0.00000000 1 As As1 1 0.00000000 0.00000000 2.30591459 1 As As2 1 2.30591459 0.00000000 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 Au Au4 1 2.30591459 2.30591459 2.30591459 1 [/CIF]
As3AuMn
Pm-3m
221
cubic
m-3m
8,069.50226
false
[CIF] data_SrSc2Nb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46244808 _cell_length_b 3.86485051 _cell_length_c 8.30121750 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrSc2Nb _chemical_formula_sum 'Sr1 Sc2 Nb1' _cell_volume 111.08559949 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 0.00000000 0.00000000 4.15060875 1 Sc Sc1 1 1.73122404 1.93242526 5.65563044 1 Sc Sc2 1 1.73122404 1.93242526 2.64558706 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSc2Sr
Pmmm
47
orthorhombic
mmm
4,042.587022
false
[CIF] data_Zn2NiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81721351 _cell_length_b 3.60588515 _cell_length_c 5.57504309 _cell_angle_alpha 90.00000000 _cell_angle_beta 91.85425652 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2NiAu _chemical_formula_sum 'Zn2 Ni1 Au1' _cell_volume 56.60468931 _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 -0.09019648 0.00000000 2.78606191 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 1.35878482 1.80294258 1.25589358 1 Zn Zn3 1 1.27803573 1.80294258 4.31623024 1 [/CIF]
AuNiZn2
P2/m
10
monoclinic
2/m
11,335.906308
false
[CIF] data_CsLi3Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61289363 _cell_length_b 5.61289363 _cell_length_c 5.61289363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CsLi3Cd _chemical_formula_sum 'Cs1 Li3 Cd1' _cell_volume 176.83182778 _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 2.80644681 2.80644681 2.80644681 1 Li Li1 1 0.00000000 2.80644681 0.00000000 1 Li Li2 1 0.00000000 0.00000000 2.80644681 1 Li Li3 1 2.80644681 0.00000000 0.00000000 1 Cd Cd4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
CdCsLi3
Pm-3m
221
cubic
m-3m
2,499.182204
false
[CIF] data_ScSiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.56196771 _cell_length_b 5.56196771 _cell_length_c 5.56196771 _cell_angle_alpha 147.51092496 _cell_angle_beta 147.51092496 _cell_angle_gamma 46.60786544 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScSiPd _chemical_formula_sum 'Sc1 Si1 Pd1' _cell_volume 49.46382266 _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 -0.00000000 0.00000000 0.25422702 1 Sc Sc1 1 -0.00000000 0.00000000 3.34286237 1 Si Si2 1 -0.00000000 0.00000000 6.61934681 1 [/CIF]
PdScSi
I4mm
107
tetragonal
4mm
6,024.659428
false
[CIF] data_HfAlV2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.15932073 _cell_length_b 3.15932073 _cell_length_c 6.49712752 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfAlV2 _chemical_formula_sum 'Hf1 Al1 V2' _cell_volume 64.84982748 _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 3.01864166 1 Hf Hf1 1 1.57966037 1.57966037 4.98648898 1 V V2 1 0.00000000 0.00000000 0.25490083 1 V V3 1 1.57966037 1.57966037 1.48565982 1 [/CIF]
AlHfV2
P4mm
99
tetragonal
4mm
7,870.093699
false
[CIF] data_HfPd2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48482875 _cell_length_b 5.48482875 _cell_length_c 3.07667823 _cell_angle_alpha 105.27237121 _cell_angle_beta 105.27237121 _cell_angle_gamma 119.98290996 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfPd2Pt _chemical_formula_sum 'Hf1 Pd2 Pt1' _cell_volume 68.14988600 _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 Pd Pd1 1 0.56134932 2.37479599 1.30768637 1 Pd Pd2 1 0.56134932 -2.37479599 1.30768637 1 Pt Pt3 1 2.74312275 -0.00000000 0.00000000 1 [/CIF]
HfPd2Pt
C2/m
12
monoclinic
2/m
14,288.554441
false
[CIF] data_Ba2SiB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34943094 _cell_length_b 3.64144243 _cell_length_c 8.51972482 _cell_angle_alpha 90.00000000 _cell_angle_beta 104.05704780 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2SiB _chemical_formula_sum 'Ba2 Si1 B1' _cell_volume 130.89634855 _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 2.49122407 0.00000000 2.64473412 1 Ba Ba1 1 0.30274459 1.82072122 1.05931480 1 Ba Ba2 1 0.31584542 0.00000000 5.20936340 1 Si Si3 1 2.48504105 1.82072122 3.48348213 1 [/CIF]
BBa2Si
Pm
6
monoclinic
m
3,977.672871
false
[CIF] data_FeS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.16293184 _cell_length_b 3.31054356 _cell_length_c 5.55839113 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeS _chemical_formula_sum 'Fe4 S4' _cell_volume 95.00463681 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 2.62829604 2.48290767 3.91115255 1 Fe Fe1 1 0.04683012 2.48290767 4.42643414 1 Fe Fe2 1 5.11610172 0.82763589 1.13195699 1 Fe Fe3 1 2.53463580 0.82763589 1.64723858 1 S S4 1 4.05635199 0.82763589 3.24896441 1 S S5 1 1.47488607 0.82763589 5.08862229 1 S S6 1 3.68804577 2.48290767 0.46976884 1 S S7 1 1.10657985 2.48290767 2.30942672 1 [/CIF]
Fe4S4
Pnma
62
orthorhombic
mmm
6,146.141673
false
[CIF] data_GeOsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.15817279 _cell_length_b 4.15817279 _cell_length_c 4.15817279 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GeOsW _chemical_formula_sum 'Ge1 Os1 W1' _cell_volume 50.83848500 _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 0.00000000 1 Os Os1 1 1.47013609 1.47013609 1.47013609 1 W W2 1 4.41040827 4.41040827 4.41040827 1 [/CIF]
GeOsW
F-43m
216
cubic
-43m
14,590.903063
false
[CIF] data_LuZnFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.34877290 _cell_length_b 4.34877290 _cell_length_c 4.34877290 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LuZnFe2 _chemical_formula_sum 'Lu1 Zn1 Fe2' _cell_volume 58.15474916 _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 1.53752340 1.53752340 1.53752340 1 Fe Fe1 1 4.61257021 4.61257021 4.61257021 1 Lu Lu2 1 3.07504680 3.07504680 3.07504680 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Fe2LuZn
Fm-3m
225
cubic
m-3m
10,051.98832
false
[CIF] data_LaPPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.94474126 _cell_length_b 7.94474126 _cell_length_c 3.65593471 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaPPd _chemical_formula_sum 'La3 P3 Pd3' _cell_volume 199.84283358 _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 La La0 1 -2.80617922 4.86044499 1.82796736 1 La La1 1 1.16619141 2.01990277 1.82796736 1 La La2 1 5.61235844 0.00000000 1.82796736 1 P P3 1 -1.61346036 2.79459532 0.00000000 1 P P4 1 2.35891027 4.08575244 0.00000000 1 P P5 1 3.22692072 0.00000000 0.00000000 1 Pd Pd6 1 3.97237063 2.29344925 1.82796736 1 Pd Pd7 1 0.00000000 4.58689851 1.82796736 1 Pd Pd8 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
La3P3Pd3
P-62m
189
hexagonal
-6m2
6,887.49745
false
[CIF] data_CaTePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43989688 _cell_length_b 4.43989688 _cell_length_c 4.06699302 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaTePt2 _chemical_formula_sum 'Ca1 Te1 Pt2' _cell_volume 80.17134947 _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 Pt Pt1 1 0.00000000 2.21994844 2.03349651 1 Pt Pt2 1 2.21994844 0.00000000 2.03349651 1 Te Te3 1 2.21994844 2.21994844 0.00000000 1 [/CIF]
CaPt2Te
P4/mmm
123
tetragonal
4/mmm
11,554.316059
false
[CIF] data_K2ScTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78978549 _cell_length_b 4.78978549 _cell_length_c 6.29278512 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2ScTe _chemical_formula_sum 'K2 Sc1 Te1' _cell_volume 144.36935965 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.39489275 2.39489275 4.61916795 1 K K1 1 2.39489275 2.39489275 1.67361717 1 Sc Sc2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.14639256 1 [/CIF]
K2ScTe
P4/mmm
123
tetragonal
4/mmm
2,884.160069
false
[CIF] data_CrGa2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01155405 _cell_length_b 4.01155405 _cell_length_c 3.66636386 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CrGa2Pt _chemical_formula_sum 'Cr1 Ga2 Pt1' _cell_volume 59.00120191 _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 Ga Ga1 1 0.00000000 2.00577702 1.83318193 1 Ga Ga2 1 2.00577702 0.00000000 1.83318193 1 Pt Pt3 1 2.00577702 2.00577702 0.00000000 1 [/CIF]
CrGa2Pt
P4/mmm
123
tetragonal
4/mmm
10,878.460207
false
[CIF] data_Co2RuRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44469252 _cell_length_b 4.44469252 _cell_length_c 4.44469252 _cell_angle_alpha 130.38433935 _cell_angle_beta 130.38433935 _cell_angle_gamma 72.79307832 _symmetry_Int_Tables_number 1 _chemical_formula_structural Co2RuRh _chemical_formula_sum 'Co2 Ru1 Rh1' _cell_volume 49.76965655 _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 1.86488693 -0.00000000 1.78883238 1 Co Co1 1 0.00000000 1.86488693 1.78883237 1 Rh Rh2 1 0.00000000 -0.00000000 3.57766475 1 Ru Ru3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Co2RhRu
I4/mmm
139
tetragonal
4/mmm
10,738.089605
false
[CIF] data_K2LaB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69892760 _cell_length_b 3.69892760 _cell_length_c 11.44625588 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2LaB _chemical_formula_sum 'K2 La1 B1' _cell_volume 156.60842104 _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 7.99062081 1 K K1 1 1.84946380 1.84946380 10.44055636 1 K K2 1 0.00000000 0.00000000 3.14586069 1 La La3 1 1.84946380 1.84946380 7.03860183 1 [/CIF]
BK2La
P4mm
99
tetragonal
4mm
2,416.592135
false
[CIF] data_LiMgSnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.58845126 _cell_length_b 4.58845126 _cell_length_c 4.58845126 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiMgSnPd _chemical_formula_sum 'Li1 Mg1 Sn1 Pd1' _cell_volume 68.30985607 _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 Mg Mg1 1 1.62226250 1.62226250 1.62226250 1 Pd Pd2 1 3.24452500 3.24452500 3.24452500 1 Sn Sn3 1 4.86678750 4.86678750 4.86678750 1 [/CIF]
LiMgPdSn
F-43m
216
cubic
-43m
6,232.224575
false
[CIF] data_FeRePt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73123168 _cell_length_b 4.73123168 _cell_length_c 4.82972812 _cell_angle_alpha 99.23825544 _cell_angle_beta 99.23825544 _cell_angle_gamma 33.36755580 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeRePt2 _chemical_formula_sum 'Fe1 Re1 Pt2' _cell_volume 58.62103428 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Fe Fe0 1 6.62612635 -0.00000000 1.16758529 1 Pt Pt1 1 0.03571527 -0.00000000 0.08937363 1 Pt Pt2 1 1.63694283 -0.00000000 3.46911823 1 Re Re3 1 4.08325007 -0.00000000 2.41604656 1 [/CIF]
FePt2Re
Cm
8
monoclinic
m
17,908.691336
false
[CIF] data_FeBSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.00899729 _cell_length_b 3.00899729 _cell_length_c 6.33639570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural FeBSe2 _chemical_formula_sum 'Fe1 B1 Se2' _cell_volume 57.37013658 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Fe Fe1 1 0.00000000 0.00000000 3.16819785 1 Se Se2 1 1.50449864 1.50449864 4.71201631 1 Se Se3 1 1.50449864 1.50449864 1.62437939 1 [/CIF]
BFeSe2
P4/mmm
123
tetragonal
4/mmm
6,500.197553
false
[CIF] data_SrRe2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20563791 _cell_length_b 5.20563791 _cell_length_c 5.75830173 _cell_angle_alpha 103.88911525 _cell_angle_beta 103.88911525 _cell_angle_gamma 35.00214982 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrRe2W _chemical_formula_sum 'Sr1 Re2 W1' _cell_volume 86.62546443 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Re Re0 1 0.00957199 0.00000000 0.02306878 1 Re Re1 1 6.88167923 0.00000000 0.78964293 1 Sr Sr2 1 4.20564296 -0.00000000 2.76064168 1 W W3 1 1.62313613 -0.00000000 4.78603204 1 [/CIF]
Re2SrW
Cm
8
monoclinic
m
12,342.536205
false
[CIF] data_YVAgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.62822486 _cell_length_b 4.62822486 _cell_length_c 4.62822486 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YVAgOs _chemical_formula_sum 'Y1 V1 Ag1 Os1' _cell_volume 70.10166823 _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 3.27264918 3.27264918 3.27264918 1 Os Os1 1 1.63632459 1.63632459 1.63632459 1 V V2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 4.90897377 4.90897377 4.90897377 1 [/CIF]
AgOsVY
F-43m
216
cubic
-43m
10,373.871452
false
[CIF] data_NaLiAgW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76876943 _cell_length_b 4.76876943 _cell_length_c 4.76876943 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLiAgW _chemical_formula_sum 'Na1 Li1 Ag1 W1' _cell_volume 76.68386180 _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 3.37202920 3.37202920 3.37202920 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Na Na2 1 1.68601460 1.68601460 1.68601460 1 W W3 1 5.05804380 5.05804380 5.05804380 1 [/CIF]
AgLiNaW
F-43m
216
cubic
-43m
6,964.882327
false
[CIF] data_SrTh2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34396798 _cell_length_b 5.34396798 _cell_length_c 5.34396798 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTh2Ru _chemical_formula_sum 'Sr1 Th2 Ru1' _cell_volume 107.91369048 _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 Ru Ru0 1 3.77875600 3.77875600 3.77875600 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Th Th2 1 1.88937800 1.88937800 1.88937800 1 Th Th3 1 5.66813400 5.66813400 5.66813400 1 [/CIF]
RuSrTh2
Fm-3m
225
cubic
m-3m
10,044.542438
false
[CIF] data_Nb2AuBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66846529 _cell_length_b 4.66846529 _cell_length_c 4.66846529 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb2AuBr _chemical_formula_sum 'Nb2 Au1 Br1' _cell_volume 71.94612437 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 3.30110346 3.30110346 3.30110346 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Nb Nb2 1 1.65055173 1.65055173 1.65055173 1 Nb Nb3 1 4.95165519 4.95165519 4.95165519 1 [/CIF]
AuBrNb2
Fm-3m
225
cubic
m-3m
10,678.911983
false
[CIF] data_As3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40354104 _cell_length_b 7.40354104 _cell_length_c 3.61596843 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 121.17561952 _symmetry_Int_Tables_number 1 _chemical_formula_structural As3Ru _chemical_formula_sum 'As6 Ru2' _cell_volume 169.57685334 _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 As As0 1 3.63579832 -5.36083436 0.90399211 1 As As1 1 3.63579832 5.36083436 2.71197632 1 As As2 1 5.54066163 -2.17423933 0.90399211 1 As As3 1 1.73093501 2.17423933 2.71197632 1 As As4 1 1.73093501 -2.17423933 0.90399211 1 As As5 1 5.54066163 2.17423933 2.71197632 1 Ru Ru6 1 3.63579832 0.74891986 2.71197632 1 Ru Ru7 1 3.63579832 -0.74891986 0.90399211 1 [/CIF]
As6Ru2
Cmcm
63
orthorhombic
mmm
6,381.312119
false
[CIF] data_MnGe3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11994426 _cell_length_b 4.11994426 _cell_length_c 4.11994426 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnGe3 _chemical_formula_sum 'Mn1 Ge3' _cell_volume 69.93168958 _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 2.05997213 2.05997213 1 Ge Ge1 1 2.05997213 0.00000000 2.05997213 1 Ge Ge2 1 2.05997213 2.05997213 0.00000000 1 Mn Mn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ge3Mn
Pm-3m
221
cubic
m-3m
6,479.057579
false
[CIF] data_VB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03092813 _cell_length_b 3.03092813 _cell_length_c 3.03092813 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VB _chemical_formula_sum 'V1 B1' _cell_volume 19.68846767 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 V V1 1 2.14318983 2.14318983 2.14318983 1 [/CIF]
B2V2
Fm-3m
225
cubic
m-3m
5,208.256566
false
[CIF] data_Dy _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.44411842 _cell_length_b 3.44411842 _cell_length_c 3.44411842 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Dy _chemical_formula_sum Dy1 _cell_volume 31.44939787 _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 Dy Dy0 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Dy2
Im-3m
229
cubic
m-3m
8,584.37386
false
[CIF] data_Li2CrTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.11219273 _cell_length_b 4.11219273 _cell_length_c 4.31466097 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2CrTe _chemical_formula_sum 'Li2 Cr1 Te1' _cell_volume 72.96147380 _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 Li Li1 1 0.00000000 2.05609637 2.15733049 1 Li Li2 1 2.05609637 0.00000000 2.15733049 1 Te Te3 1 2.05609637 2.05609637 0.00000000 1 [/CIF]
CrLi2Te
P4/mmm
123
tetragonal
4/mmm
4,403.391637
false
[CIF] data_LiSbSe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89448642 _cell_length_b 4.89448642 _cell_length_c 4.89448642 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSbSe _chemical_formula_sum 'Li1 Sb1 Se1' _cell_volume 82.90989909 _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 Sb Sb1 1 5.19138681 5.19138681 5.19138681 1 Se Se2 1 3.46092454 3.46092454 3.46092454 1 [/CIF]
LiSbSe
F-43m
216
cubic
-43m
4,159.083619
false
[CIF] data_Sr2BTe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.50627044 _cell_length_b 5.50627044 _cell_length_c 5.50627044 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2BTe _chemical_formula_sum 'Sr2 B1 Te1' _cell_volume 118.04772365 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy B B0 1 0.00000000 0.00000000 0.00000000 1 Sr Sr1 1 5.84028176 5.84028176 5.84028176 1 Sr Sr2 1 1.94676059 1.94676059 1.94676059 1 Te Te3 1 3.89352117 3.89352117 3.89352117 1 [/CIF]
BSr2Te
Fm-3m
225
cubic
m-3m
4,412.026955
false
[CIF] data_In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.26680997 _cell_length_b 3.26680997 _cell_length_c 5.33095975 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural In _chemical_formula_sum In2 _cell_volume 49.27013828 _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 In In0 1 -0.00000000 1.88609362 1.33273994 1 In In1 1 1.63340499 0.94304681 3.99821981 1 [/CIF]
In2
P6_3/mmc
194
hexagonal
6/mmm
7,739.364305
false
[CIF] data_Si2TeOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60069192 _cell_length_b 4.60069192 _cell_length_c 3.18962898 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2TeOs _chemical_formula_sum 'Si2 Te1 Os1' _cell_volume 67.51285485 _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 Os Os0 1 2.30034596 2.30034596 0.00000000 1 Si Si1 1 2.30034596 0.00000000 1.59481449 1 Si Si2 1 0.00000000 2.30034596 1.59481449 1 Te Te3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
OsSi2Te
P4/mmm
123
tetragonal
4/mmm
9,198.889202
false
[CIF] data_TlBiRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79870690 _cell_length_b 4.79870690 _cell_length_c 4.79870690 _cell_angle_alpha 121.32297181 _cell_angle_beta 121.32297181 _cell_angle_gamma 87.72342342 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlBiRh2 _chemical_formula_sum 'Tl1 Bi1 Rh2' _cell_volume 76.50907568 _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 3.45993640 1 Rh Rh1 1 2.35121544 -0.00000000 1.72996820 1 Rh Rh2 1 -0.00000000 2.35121544 1.72996820 1 Tl Tl3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
BiRh2Tl
I4/mmm
139
tetragonal
4/mmm
13,438.464126
false
[CIF] data_ScCd4Ga _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.80032733 _cell_length_b 5.80032733 _cell_length_c 5.80032733 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd4Ga _chemical_formula_sum 'Sc1 Cd4 Ga1' _cell_volume 137.98837846 _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 5.12977974 5.12977974 3.07312184 1 Cd Cd1 1 5.12977974 3.07312184 5.12977974 1 Cd Cd2 1 3.07312184 5.12977974 5.12977974 1 Cd Cd3 1 3.07312184 3.07312184 3.07312184 1 Ga Ga4 1 6.15217619 6.15217619 6.15217619 1 Sc Sc5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Cd4GaSc
F-43m
216
cubic
-43m
6,791.008431
false
[CIF] data_TlSb2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.00438710 _cell_length_b 7.00438710 _cell_length_c 7.00438710 _cell_angle_alpha 149.47914289 _cell_angle_beta 138.09906674 _cell_angle_gamma 52.71752835 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlSb2As _chemical_formula_sum 'Tl1 Sb2 As1' _cell_volume 115.91526432 _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 9.49414833 1 Sb Sb1 1 -0.00000000 2.50449367 5.35042448 1 Sb Sb2 1 0.00000000 0.00000000 3.41867118 1 Tl Tl3 1 -0.00000000 2.50449367 0.56521114 1 [/CIF]
AsSb2Tl
Imm2
44
orthorhombic
mm2
7,489.705316
false
[CIF] data_SiMoOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76881470 _cell_length_b 2.76881470 _cell_length_c 8.40850354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 115.61419271 _symmetry_Int_Tables_number 1 _chemical_formula_structural SiMoOs2 _chemical_formula_sum 'Si1 Mo1 Os2' _cell_volume 58.12739109 _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 4.20425177 1 Os Os1 1 1.47514547 0.00000000 6.49137953 1 Os Os2 1 1.47514547 0.00000000 1.91712401 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
MoOs2Si
Cmmm
65
orthorhombic
mmm
14,412.329133
false
[CIF] data_K2NaMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13808182 _cell_length_b 6.13808182 _cell_length_c 6.13808182 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K2NaMo _chemical_formula_sum 'K2 Na1 Mo1' _cell_volume 163.52457213 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 2.17013964 2.17013964 2.17013964 1 K K1 1 6.51041892 6.51041892 6.51041892 1 Mo Mo2 1 4.34027928 4.34027928 4.34027928 1 Na Na3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
K2MoNa
Fm-3m
225
cubic
m-3m
2,001.957527
false
[CIF] data_ZrGa2Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16326241 _cell_length_b 3.16326241 _cell_length_c 8.14742062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa2Hg _chemical_formula_sum 'Zr1 Ga2 Hg1' _cell_volume 81.52495709 _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 1.58163121 1.58163121 1.90180612 1 Ga Ga1 1 1.58163121 1.58163121 6.24561450 1 Hg Hg2 1 0.00000000 0.00000000 4.07371031 1 Zr Zr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Ga2HgZr
P4/mmm
123
tetragonal
4/mmm
8,784.108614
false
[CIF] data_Li2PdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.69439813 _cell_length_b 4.70010820 _cell_length_c 4.76636615 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2PdW _chemical_formula_sum 'Li2 Pd1 W1' _cell_volume 60.36108335 _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 1.34719906 2.35005410 0.00000000 1 Pd Pd2 1 1.34719906 0.00000000 2.38318307 1 W W3 1 0.00000000 2.35005410 2.38318307 1 [/CIF]
Li2PdW
Pmmm
47
orthorhombic
mmm
8,366.974957
false
[CIF] data_ScCd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28577304 _cell_length_b 3.28577304 _cell_length_c 10.04652886 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.92265654 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScCd2Cl _chemical_formula_sum 'Sc1 Cd2 Cl1' _cell_volume 98.36481164 _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 0.23348655 1 Cd Cd1 1 1.76731458 0.00000000 7.79023129 1 Cl Cl2 1 0.00000000 0.00000000 4.42546381 1 Sc Sc3 1 1.76731458 0.00000000 2.62061174 1 [/CIF]
Cd2ClSc
Cmm2
35
orthorhombic
mm2
5,152.735467
false
[CIF] data_YTaGaRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.67020429 _cell_length_b 4.67020429 _cell_length_c 4.67020429 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YTaGaRu _chemical_formula_sum 'Y1 Ta1 Ga1 Ru1' _cell_volume 72.02655387 _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 0.00000000 0.00000000 0.00000000 1 Ru Ru1 1 1.65116656 1.65116656 1.65116656 1 Ta Ta2 1 4.95349968 4.95349968 4.95349968 1 Y Y3 1 3.30233312 3.30233312 3.30233312 1 [/CIF]
GaRuTaY
F-43m
216
cubic
-43m
10,158.907659
false
[CIF] data_HfTaTiPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.63895233 _cell_length_b 4.63895233 _cell_length_c 4.63895233 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaTiPd _chemical_formula_sum 'Hf1 Ta1 Ti1 Pd1' _cell_volume 70.59025183 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 4.92035198 4.92035198 4.92035198 1 Pd Pd1 1 3.28023465 3.28023465 3.28023465 1 Ta Ta2 1 1.64011733 1.64011733 1.64011733 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
HfPdTaTi
F-43m
216
cubic
-43m
12,084.674733
false
[CIF] data_Si2Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44698598 _cell_length_b 5.44698598 _cell_length_c 14.01721799 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si2Ir _chemical_formula_sum 'Si16 Ir8' _cell_volume 360.16787519 _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 Ir Ir0 1 0.00000000 0.00000000 8.49158440 1 Ir Ir1 1 0.00000000 0.00000000 5.52563359 1 Ir Ir2 1 0.00000000 0.00000000 1.48297541 1 Ir Ir3 1 0.00000000 0.00000000 12.53424258 1 Ir Ir4 1 0.00000000 3.14481882 5.24539099 1 Ir Ir5 1 2.72349299 1.57240941 8.77182700 1 Ir Ir6 1 2.72349299 1.57240941 12.25399999 1 Ir Ir7 1 0.00000000 3.14481882 1.76321800 1 Si Si8 1 0.00000000 3.14481882 8.93133719 1 Si Si9 1 2.72349299 1.57240941 5.08588080 1 Si Si10 1 2.72349299 1.57240941 1.92272819 1 Si Si11 1 0.00000000 3.14481882 12.09448980 1 Si Si12 1 1.36174649 2.35861412 7.00860900 1 Si Si13 1 2.72349299 0.00000000 7.00860900 1 Si Si14 1 -1.36174649 2.35861412 7.00860900 1 Si Si15 1 1.36174649 2.35861412 0.00000000 1 Si Si16 1 2.72349299 0.00000000 0.00000000 1 Si Si17 1 -1.36174649 2.35861412 0.00000000 1 Si Si18 1 -1.49876769 4.01013275 10.51291349 1 Si Si19 1 -0.00000000 1.41419097 10.51291349 1 Si Si20 1 1.49876769 4.01013275 10.51291349 1 Si Si21 1 4.22226068 0.70709548 3.50430450 1 Si Si22 1 2.72349299 3.30303727 3.50430450 1 Si Si23 1 1.22472530 0.70709548 3.50430450 1 [/CIF]
Ir8Si16
P6_3/mmc
194
hexagonal
6/mmm
9,161.460666
false
[CIF] data_MgW2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86494481 _cell_length_b 4.86494481 _cell_length_c 5.34703920 _cell_angle_alpha 94.51811602 _cell_angle_beta 94.51811602 _cell_angle_gamma 32.48935062 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgW2Au _chemical_formula_sum 'Mg1 W2 Au1' _cell_volume 67.74732790 _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 4.40778509 0.00000000 2.78640472 1 Mg Mg1 1 1.96666922 -0.00000000 3.92488926 1 W W2 1 0.00176641 -0.00000000 0.08775105 1 W W3 1 6.97783994 0.00000000 1.19447006 1 [/CIF]
AuMgW2
Cm
8
monoclinic
m
14,435.655531
false
[CIF] data_MgAlNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21815911 _cell_length_b 4.21815911 _cell_length_c 4.21815911 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgAlNi _chemical_formula_sum 'Mg1 Al1 Ni1' _cell_volume 53.07058489 _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 4.47403337 4.47403337 4.47403337 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Ni Ni2 1 2.98268891 2.98268891 2.98268891 1 [/CIF]
AlMgNi
F-43m
216
cubic
-43m
3,441.19035
false
[CIF] data_TlCrGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65687264 _cell_length_b 4.65687264 _cell_length_c 4.65687264 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TlCrGe _chemical_formula_sum 'Tl1 Cr1 Ge1' _cell_volume 71.41148807 _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 Ge Ge1 1 1.64645311 1.64645311 1.64645311 1 Tl Tl2 1 3.29290622 3.29290622 3.29290622 1 [/CIF]
CrGeTl
F-43m
216
cubic
-43m
7,650.723744
false
[CIF] data_TiNbTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.18663795 _cell_length_b 9.18663795 _cell_length_c 9.18663795 _cell_angle_alpha 18.00628190 _cell_angle_beta 18.00628190 _cell_angle_gamma 18.00628190 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiNbTc2 _chemical_formula_sum 'Ti1 Nb1 Tc2' _cell_volume 64.68705122 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nb Nb0 1 -0.00000000 0.00000000 6.79805126 1 Tc Tc1 1 -0.00000000 -0.00000000 0.14567274 1 Tc Tc2 1 -0.00000000 0.00000000 20.27012700 1 Ti Ti3 1 0.00000000 0.00000000 13.44551298 1 [/CIF]
NbTc2Ti
R3m
160
trigonal
3m
8,691.614536
false
[CIF] data_ZnCdRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.84243344 _cell_length_b 2.84243344 _cell_length_c 7.10171613 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCdRe _chemical_formula_sum 'Zn1 Cd1 Re1' _cell_volume 49.69063522 _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 -0.00000001 1.64107972 7.09600074 1 Re Re1 1 1.42121671 0.82053986 2.48085940 1 Zn Zn2 1 0.00000000 0.00000000 4.62657212 1 [/CIF]
CdReZn
P3m1
156
trigonal
3m
12,163.919756
false
[CIF] data_SrVSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74607668 _cell_length_b 3.74607668 _cell_length_c 7.70617454 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrVSb2 _chemical_formula_sum 'Sr1 V1 Sb2' _cell_volume 108.14144467 _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 Sb Sb0 1 1.87303834 1.87303834 7.14780463 1 Sb Sb1 1 0.00000000 0.00000000 1.66522410 1 Sr Sr2 1 1.87303834 1.87303834 3.79559512 1 V V3 1 0.00000000 0.00000000 6.65681258 1 [/CIF]
Sb2SrV
P4mm
99
tetragonal
4mm
5,866.957477
false
[CIF] data_SrHfAlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93935133 _cell_length_b 4.93935133 _cell_length_c 4.93935133 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrHfAlIr _chemical_formula_sum 'Sr1 Hf1 Al1 Ir1' _cell_volume 85.21082231 _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 Hf Hf1 1 5.23897323 5.23897323 5.23897323 1 Ir Ir2 1 3.49264882 3.49264882 3.49264882 1 Sr Sr3 1 1.74632441 1.74632441 1.74632441 1 [/CIF]
AlHfIrSr
F-43m
216
cubic
-43m
9,457.411228
false
[CIF] data_InRh2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18548705 _cell_length_b 3.57845056 _cell_length_c 6.35270952 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural InRh2Pb _chemical_formula_sum 'In1 Rh2 Pb1' _cell_volume 72.41522139 _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 0.00000000 0.00000000 1 Pb Pb1 1 0.00000000 0.00000000 3.17635476 1 Rh Rh2 1 1.59274353 1.78922528 4.82656851 1 Rh Rh3 1 1.59274353 1.78922528 1.52614101 1 [/CIF]
InPbRh2
Pmmm
47
orthorhombic
mmm
12,103.54202
false
[CIF] data_YSi5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.44454419 _cell_length_b 5.44454419 _cell_length_c 4.00695224 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YSi5 _chemical_formula_sum 'Y1 Si5' _cell_volume 102.86505251 _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 Si Si0 1 3.17478363 0.00000000 2.00347612 1 Si Si1 1 1.13488028 1.96567031 2.00347612 1 Si Si2 1 -1.58739181 2.74944327 2.00347612 1 Si Si3 1 2.72227210 1.57170453 0.00000000 1 Si Si4 1 -0.00000000 3.14340905 0.00000000 1 Y Y5 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Si5Y
P-62m
189
hexagonal
-6m2
3,702.10268
false
[CIF] data_Mg2PCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71867273 _cell_length_b 4.71867273 _cell_length_c 4.71867273 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2PCl _chemical_formula_sum 'Mg2 P1 Cl1' _cell_volume 74.29243164 _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 3.33660548 3.33660548 3.33660548 1 Mg Mg1 1 5.00490823 5.00490823 5.00490823 1 Mg Mg2 1 1.66830274 1.66830274 1.66830274 1 P P3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
ClMg2P
Fm-3m
225
cubic
m-3m
2,571.232227
false
[CIF] data_SnBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43301241 _cell_length_b 6.43301241 _cell_length_c 3.36560218 _cell_angle_alpha 100.19719060 _cell_angle_beta 100.19719060 _cell_angle_gamma 116.67809631 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnBi2Sb _chemical_formula_sum 'Sn1 Bi2 Sb1' _cell_volume 117.16096933 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi Bi0 1 1.12073896 2.73779047 1.58419515 1 Bi Bi1 1 1.12073896 -2.73779047 1.58419515 1 Sb Sb2 1 3.37663473 -0.00000000 0.00000000 1 Sn Sn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi2SbSn
C2/m
12
monoclinic
2/m
9,332.03329
false
[CIF] data_BiRu2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.33693197 _cell_length_b 3.33693197 _cell_length_c 6.77502248 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BiRu2Br _chemical_formula_sum 'Bi1 Ru2 Br1' _cell_volume 75.44065403 _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 3.38751124 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Ru Ru2 1 1.66846598 1.66846598 1.85225199 1 Ru Ru3 1 1.66846598 1.66846598 4.92277049 1 [/CIF]
BiBrRu2
P4/mmm
123
tetragonal
4/mmm
10,808.266084
false
[CIF] data_CdSb2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26580453 _cell_length_b 4.26580453 _cell_length_c 5.91885347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSb2Cl _chemical_formula_sum 'Cd1 Sb2 Cl1' _cell_volume 107.70589916 _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 2.13290226 2.13290226 0.00000000 1 Cl Cl1 1 0.00000000 0.00000000 0.00000000 1 Sb Sb2 1 0.00000000 2.13290226 2.95942674 1 Sb Sb3 1 2.13290226 0.00000000 2.95942674 1 [/CIF]
CdClSb2
P4/mmm
123
tetragonal
4/mmm
6,034.102376
false
[CIF] data_ScPbO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.10406449 _cell_length_b 4.10406449 _cell_length_c 4.10406449 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScPbO3 _chemical_formula_sum 'Sc1 Pb1 O3' _cell_volume 69.12617529 _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 O O0 1 0.00000000 0.00000000 2.05203224 1 O O1 1 2.05203224 0.00000000 0.00000000 1 O O2 1 0.00000000 2.05203224 0.00000000 1 Pb Pb3 1 2.05203224 2.05203224 2.05203224 1 Sc Sc4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
O3PbSc
Pm-3m
221
cubic
m-3m
7,210.259021
false
[CIF] data_GaPPt2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04836775 _cell_length_b 3.73708507 _cell_length_c 4.55034963 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.16332290 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaPPt2 _chemical_formula_sum 'Ga1 P1 Pt2' _cell_volume 67.29721938 _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 1.54480665 0.00000000 2.22409935 1 P P1 1 0.00000000 0.00000000 0.00000000 1 Pt Pt2 1 0.11566042 1.86854254 3.44960225 1 Pt Pt3 1 2.97395288 1.86854254 0.99859645 1 [/CIF]
GaPPt2
P2/m
10
monoclinic
2/m
12,111.943424
false
[CIF] data_SrLi2Cr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.71805700 _cell_length_b 4.71805700 _cell_length_c 4.83897347 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrLi2Cr _chemical_formula_sum 'Sr1 Li2 Cr1' _cell_volume 107.71584876 _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 Li Li1 1 0.00000000 2.35902850 2.41948673 1 Li Li2 1 2.35902850 0.00000000 2.41948673 1 Sr Sr3 1 2.35902850 2.35902850 0.00000000 1 [/CIF]
CrLi2Sr
P4/mmm
123
tetragonal
4/mmm
2,366.314657
false
[CIF] data_LiCd2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.28247309 _cell_length_b 3.60777158 _cell_length_c 7.63344813 _cell_angle_alpha 90.00000000 _cell_angle_beta 99.28459546 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiCd2Cl _chemical_formula_sum 'Li1 Cd2 Cl1' _cell_volume 89.21414808 _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 0.04453340 1.80388579 0.02758039 1 Cd Cd1 1 1.71034850 0.00000000 1.76984826 1 Cl Cl2 1 1.48521886 1.80388579 4.59638572 1 Li Li3 1 -0.16374464 0.00000000 4.90635060 1 [/CIF]
Cd2ClLi
Pm
6
monoclinic
m
4,973.679812
false
[CIF] data_LiSn2W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73005192 _cell_length_b 4.73005192 _cell_length_c 3.38522956 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiSn2W _chemical_formula_sum 'Li1 Sn2 W1' _cell_volume 75.73906513 _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 Sn Sn1 1 0.00000000 2.36502596 1.69261478 1 Sn Sn2 1 2.36502596 0.00000000 1.69261478 1 W W3 1 2.36502596 2.36502596 0.00000000 1 [/CIF]
LiSn2W
P4/mmm
123
tetragonal
4/mmm
9,388.081139
false
[CIF] data_TiGaRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12097095 _cell_length_b 5.12097095 _cell_length_c 5.12097095 _cell_angle_alpha 144.52822739 _cell_angle_beta 144.52822739 _cell_angle_gamma 51.03813348 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiGaRh _chemical_formula_sum 'Ti1 Ga1 Rh1' _cell_volume 44.98633954 _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 -0.00000000 0.00000000 9.20934583 1 Rh Rh1 1 -0.00000000 0.00000000 3.06975274 1 Ti Ti2 1 -0.00000000 0.00000000 6.20641796 1 [/CIF]
GaRhTi
I4mm
107
tetragonal
4mm
8,138.946077
false
[CIF] data_Cd2InGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11079827 _cell_length_b 5.11079827 _cell_length_c 3.60714072 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cd2InGe _chemical_formula_sum 'Cd2 In1 Ge1' _cell_volume 94.21944970 _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 2.55539914 0.00000000 1.80357036 1 Cd Cd1 1 0.00000000 2.55539914 1.80357036 1 Ge Ge2 1 0.00000000 0.00000000 0.00000000 1 In In3 1 2.55539914 2.55539914 0.00000000 1 [/CIF]
Cd2GeIn
P4/mmm
123
tetragonal
4/mmm
7,266.090479
false
[CIF] data_ZrFeW4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29612862 _cell_length_b 5.29612862 _cell_length_c 5.29612862 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrFeW4 _chemical_formula_sum 'Zr1 Fe1 W4' _cell_volume 105.04141726 _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 W W1 1 2.81343645 4.67642047 2.81343645 1 W W2 1 4.67642047 2.81343645 2.81343645 1 W W3 1 4.67642047 4.67642047 4.67642047 1 W W4 1 2.81343645 2.81343645 4.67642047 1 Zr Zr5 1 1.87246423 1.87246423 1.87246423 1 [/CIF]
FeW4Zr
F-43m
216
cubic
-43m
13,949.810143
false
[CIF] data_NbCrOs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41814445 _cell_length_b 4.41814445 _cell_length_c 4.41814445 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbCrOs3 _chemical_formula_sum 'Nb1 Cr1 Os3' _cell_volume 86.24218135 _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 Nb Nb1 1 2.20907222 2.20907222 2.20907222 1 Os Os2 1 0.00000000 2.20907222 0.00000000 1 Os Os3 1 0.00000000 0.00000000 2.20907222 1 Os Os4 1 2.20907222 0.00000000 0.00000000 1 [/CIF]
CrNbOs3
Pm-3m
221
cubic
m-3m
13,778.284016
false
[CIF] data_KZrIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.52498748 _cell_length_b 5.52498748 _cell_length_c 5.52498748 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KZrIn2 _chemical_formula_sum 'K1 Zr1 In2' _cell_volume 119.25563140 _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 5.86013417 5.86013417 5.86013417 1 In In1 1 1.95337806 1.95337806 1.95337806 1 K K2 1 0.00000000 0.00000000 0.00000000 1 Zr Zr3 1 3.90675611 3.90675611 3.90675611 1 [/CIF]
In2KZr
Fm-3m
225
cubic
m-3m
5,012.130769
false
[CIF] data_Zr2MnSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78972472 _cell_length_b 4.78972472 _cell_length_c 4.78972472 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2MnSb _chemical_formula_sum 'Zr2 Mn1 Sb1' _cell_volume 77.69922090 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mn Mn0 1 0.00000000 0.00000000 0.00000000 1 Sb Sb1 1 3.38684683 3.38684683 3.38684683 1 Zr Zr2 1 1.69342342 1.69342342 1.69342342 1 Zr Zr3 1 5.08027025 5.08027025 5.08027025 1 [/CIF]
MnSbZr2
Fm-3m
225
cubic
m-3m
7,675.444251
false
[CIF] data_LiBi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.21586627 _cell_length_b 5.21586627 _cell_length_c 5.21586627 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiBi3 _chemical_formula_sum 'Li1 Bi3' _cell_volume 141.89900294 _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 2.60793314 0.00000000 0.00000000 1 Bi Bi1 1 0.00000000 2.60793314 0.00000000 1 Bi Bi2 1 0.00000000 0.00000000 2.60793314 1 Li Li3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Bi3Li
Pm-3m
221
cubic
m-3m
7,417.854495
false
[CIF] data_Tl2NiHg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.08618730 _cell_length_b 5.08618730 _cell_length_c 5.08618730 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl2NiHg _chemical_formula_sum 'Tl2 Ni1 Hg1' _cell_volume 93.03836065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hg Hg0 1 3.59647753 3.59647753 3.59647753 1 Ni Ni1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.39471630 5.39471630 5.39471630 1 Tl Tl3 1 1.79823877 1.79823877 1.79823877 1 [/CIF]
HgNiTl2
Fm-3m
225
cubic
m-3m
11,923.287509
false
[CIF] data_BeCoTcNi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99629574 _cell_length_b 3.99629574 _cell_length_c 3.99629574 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoTcNi _chemical_formula_sum 'Be1 Co1 Tc1 Ni1' _cell_volume 45.12922376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Be Be0 1 0.00000000 0.00000000 0.00000000 1 Co Co1 1 4.23871173 4.23871173 4.23871173 1 Ni Ni2 1 1.41290391 1.41290391 1.41290391 1 Tc Tc3 1 2.82580782 2.82580782 2.82580782 1 [/CIF]
BeCoNiTc
F-43m
216
cubic
-43m
8,298.973799
false
[CIF] data_NaCdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46044253 _cell_length_b 6.46044253 _cell_length_c 3.44610922 _cell_angle_alpha 103.50966433 _cell_angle_beta 103.50966433 _cell_angle_gamma 115.61896506 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCdPb2 _chemical_formula_sum 'Na1 Cd1 Pb2' _cell_volume 116.55700149 _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 3.44171175 -0.00000000 0.00000000 1 Na Na1 1 -0.00000000 -0.00000000 0.00000000 1 Pb Pb2 1 0.96528174 2.73367600 1.54855575 1 Pb Pb3 1 0.96528174 -2.73367600 1.54855575 1 [/CIF]
CdNaPb2
C2/m
12
monoclinic
2/m
7,832.782627
false
[CIF] data_Tl4B8O17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.07219200 _cell_length_b 9.57927910 _cell_length_c 13.35185914 _cell_angle_alpha 89.71872256 _cell_angle_beta 82.95330575 _cell_angle_gamma 89.53380059 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4B8O17 _chemical_formula_sum 'Tl8 B16 O34' _cell_volume 897.67259719 _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 Tl Tl0 1 3.23313231 3.36360235 2.19914636 1 Tl Tl1 1 5.55498469 6.26758065 11.05175664 1 Tl Tl2 1 6.93185453 0.28008103 1.51229906 1 Tl Tl3 1 1.85626247 9.35110197 11.73860394 1 Tl Tl4 1 3.05361117 6.33556911 4.34731650 1 Tl Tl5 1 5.73450583 3.29561389 8.90358650 1 Tl Tl6 1 6.53864640 8.63632420 5.30340891 1 Tl Tl7 1 2.24947060 0.99485880 7.94749409 1 B B8 1 4.41254616 8.40465242 2.69174868 1 B B9 1 4.37557084 1.22653058 10.55915432 1 B B10 1 2.24233848 0.09192570 3.38009334 1 B B11 1 6.54577852 9.53925730 9.87080966 1 B B12 1 4.49392160 1.17107905 3.81443144 1 B B13 1 4.29419540 8.46010395 9.43647156 1 B B14 1 5.13628068 2.32070938 5.95622789 1 B B15 1 3.65183632 7.31047362 7.29467511 1 B B16 1 5.51488131 3.60840291 3.93720106 1 B B17 1 3.27323569 6.02278009 9.31370194 1 B B18 1 0.46381706 4.84621606 3.27863118 1 B B19 1 8.32429994 4.78496694 9.97227182 1 B B20 1 5.42750047 5.96281967 2.59885985 1 B B21 1 3.36061653 3.66836333 10.65204315 1 B B22 1 4.84715933 7.18373013 0.56561479 1 B B23 1 3.94095767 2.44745287 12.68528821 1 O O24 1 4.59303258 8.34047397 1.25782872 1 O O25 1 4.19508442 1.29070903 11.99307428 1 O O26 1 2.97342320 8.46731755 3.10484558 1 O O27 1 5.81469380 1.16386545 10.14605742 1 O O28 1 5.16640025 9.56353018 3.19138723 1 O O29 1 3.62171675 0.06765282 10.05951577 1 O O30 1 0.87871384 0.15551636 3.43496533 1 O O31 1 7.90940316 9.47566664 9.81593767 1 O O32 1 3.01814250 1.21693280 3.62951509 1 O O33 1 5.76997450 8.41425020 9.62138791 1 O O34 1 4.87309843 1.17122638 5.23727365 1 O O35 1 3.91501857 8.45995662 8.01362935 1 O O36 1 5.00028162 2.42182839 3.17890488 1 O O37 1 3.78783538 7.20935461 10.07199812 1 O O38 1 5.34255000 2.05869681 7.29813359 1 O O39 1 3.44556700 7.57248619 5.95276941 1 O O40 1 5.18271275 3.55328023 5.36262719 1 O O41 1 3.60540425 6.07790277 7.88827581 1 O O42 1 6.94513612 3.72070671 3.75248347 1 O O43 1 1.84298088 5.91047629 9.49841953 1 O O44 1 4.75357221 4.77004267 3.29769923 1 O O45 1 4.03454479 4.86114033 9.95320377 1 O O46 1 1.89796798 4.86971493 3.33982385 1 O O47 1 6.89014902 4.76146807 9.91107915 1 O O48 1 6.87358587 5.91086565 2.77687248 1 O O49 1 1.91453113 3.72031735 10.47403052 1 O O50 1 4.99502147 5.97091195 1.20804507 1 O O51 1 3.79309553 3.66027105 12.04285793 1 O O52 1 4.90844000 7.14627272 3.35018605 1 O O53 1 3.87967700 2.48491028 9.90071695 1 O O54 1 6.57724032 7.38164394 12.43024808 1 O O55 1 2.21087668 2.24953906 0.82065492 1 O O56 1 0.57858620 8.16239523 0.20631656 1 O O57 1 8.20953080 1.46878777 13.04458644 1 [/CIF]
B16O34Tl8
P-1
2
triclinic
-1
4,350.833955
true
[CIF] data_K4Pb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93926728 _cell_length_b 6.93926728 _cell_length_c 7.11603870 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural K4Pb3 _chemical_formula_sum 'K4 Pb3' _cell_volume 296.75371478 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 5.23480820 1 K K1 1 0.00000000 0.00000000 1.88123050 1 K K2 1 -0.00000000 4.00638783 0.00000000 1 K K3 1 3.46963364 2.00319392 0.00000000 1 Pb Pb4 1 1.73481682 3.00479087 3.55801935 1 Pb Pb5 1 3.46963364 0.00000000 3.55801935 1 Pb Pb6 1 -1.73481682 3.00479087 3.55801935 1 [/CIF]
K4Pb3
P6/mmm
191
hexagonal
6/mmm
4,353.401618
false
[CIF] data_Sm3Np _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04485729 _cell_length_b 5.04485729 _cell_length_c 5.04485729 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Np _chemical_formula_sum 'Sm3 Np1' _cell_volume 128.39456966 _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 Sm Sm0 1 0.00000000 2.52242864 2.52242864 1 Sm Sm1 1 2.52242864 0.00000000 2.52242864 1 Sm Sm2 1 2.52242864 2.52242864 0.00000000 1 Np Np3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NpSm3
Pm-3m
221
cubic
m-3m
8,899.00347
false
[CIF] data_TiTl2Sn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.60241376 _cell_length_b 5.60241376 _cell_length_c 3.34146062 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 111.95888786 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiTl2Sn _chemical_formula_sum 'Ti1 Tl2 Sn1' _cell_volume 97.26987166 _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 3.13449617 0.00000000 0.00000000 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 1.56724809 2.32174362 1.67073031 1 Tl Tl3 1 1.56724808 -2.32174362 1.67073031 1 [/CIF]
SnTiTl2
Cmmm
65
orthorhombic
mmm
9,821.957284
false
[CIF] data_SnMoAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.91993159 _cell_length_b 4.60175505 _cell_length_c 5.76480739 _cell_angle_alpha 90.00000000 _cell_angle_beta 102.97739775 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnMoAu2 _chemical_formula_sum 'Sn1 Mo1 Au2' _cell_volume 75.48217849 _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 0.16087859 2.30087753 4.26876346 1 Au Au1 1 1.46446944 2.30087753 1.34880342 1 Mo Mo2 1 0.00000000 0.00000000 0.00000000 1 Sn Sn3 1 0.81267401 0.00000000 2.80878344 1 [/CIF]
Au2MoSn
P2/m
10
monoclinic
2/m
13,388.713826
false