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_CaCdAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00203410 _cell_length_b 5.00203410 _cell_length_c 5.00203410 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCdAg2 _chemical_formula_sum 'Ca1 Cd1 Ag2' _cell_volume 88.49626584 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.53697223 3.53697223 3.53697223 1 Ag Ag1 1 1.76848612 1.76848612 1.76848611 1 Ca Ca2 1 0.00000000 0.00000000 0.00000000 1 Cd Cd3 1 5.30545834 5.30545834 5.30545834 1 [/CIF]
Ag2CaCd
F-43m
216
cubic
-43m
6,909.36116
false
[CIF] data_BeCrB2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.52890559 _cell_length_b 3.52890559 _cell_length_c 3.52890559 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCrB2 _chemical_formula_sum 'Be1 Cr1 B2' _cell_volume 31.07456943 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.74296960 3.74296960 3.74296961 1 B B1 1 1.24765653 1.24765653 1.24765653 1 Be Be2 1 0.00000000 0.00000000 0.00000000 1 Cr Cr3 1 2.49531307 2.49531307 2.49531307 1 [/CIF]
B2BeCr
Fm-3m
225
cubic
m-3m
4,415.533791
false
[CIF] data_YC2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91575861 _cell_length_b 3.91575861 _cell_length_c 3.91575861 _cell_angle_alpha 62.28706102 _cell_angle_beta 62.28706102 _cell_angle_gamma 62.28706102 _symmetry_Int_Tables_number 1 _chemical_formula_structural YC2 _chemical_formula_sum 'Y1 C2' _cell_volume 44.62266856 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 2.51587444 1 C C1 1 -0.00000000 0.00000000 6.90659289 1 Y Y2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
C2Y
R-3m
166
trigonal
-3m
4,202.350873
false
[CIF] data_NaCaZnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96497842 _cell_length_b 4.96497842 _cell_length_c 4.96497842 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaCaZnW _chemical_formula_sum 'Na1 Ca1 Zn1 W1' _cell_volume 86.54402669 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 1.75538495 1.75538496 1.75538496 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 3.51076991 3.51076991 3.51076991 1 Zn Zn3 1 5.26615487 5.26615487 5.26615487 1 [/CIF]
CaNaWZn
F-43m
216
cubic
-43m
5,991.933363
false
[CIF] data_Sc2ReAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.73348932 _cell_length_b 8.73348932 _cell_length_c 8.73348932 _cell_angle_alpha 21.26402713 _cell_angle_beta 21.26402713 _cell_angle_gamma 21.26402713 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2ReAu _chemical_formula_sum 'Sc2 Re1 Au1' _cell_volume 76.74725454 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 12.79949000 1 Re Re1 1 0.00000000 0.00000000 0.00000000 1 Sc Sc2 1 -0.00000000 -0.00000000 19.05732296 1 Sc Sc3 1 -0.00000000 0.00000000 6.54165704 1 [/CIF]
AuReSc2
R-3m
166
trigonal
-3m
10,235.894186
false
[CIF] data_NbSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76428116 _cell_length_b 4.76428116 _cell_length_c 2.73990096 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.05013708 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbSi3 _chemical_formula_sum 'Nb1 Si3' _cell_volume 59.76709061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.86555094 0.00000000 0.00000000 1 Si Si1 1 1.43277547 -1.90308912 1.36995048 1 Si Si2 1 1.43277547 1.90308912 1.36995048 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbSi3
Cmmm
65
orthorhombic
mmm
4,922.205186
false
[CIF] data_Zr2Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.52795950 _cell_length_b 5.16157754 _cell_length_c 8.34653281 _cell_angle_alpha 62.61173595 _cell_angle_beta 37.50271525 _cell_angle_gamma 79.88554881 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Cu3 _chemical_formula_sum 'Zr4 Cu6' _cell_volume 164.20617408 _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 5.08068976 8.79246168 1.90989272 1 Cu Cu1 1 3.82282848 5.32794210 1.90989272 1 Cu Cu2 1 7.30656932 8.85804305 3.21600560 1 Cu Cu3 1 6.04870804 12.32256262 3.21600560 1 Cu Cu4 1 4.45175912 7.06020189 0.23245539 1 Cu Cu5 1 2.22587956 3.53010094 1.53856827 1 Zr Zr6 1 2.91418999 7.81657826 3.19833113 1 Zr Zr7 1 5.98932825 6.30382552 3.19833113 1 Zr Zr8 1 5.14006955 9.83392646 4.50444401 1 Zr Zr9 1 8.21520781 11.34667921 4.50444401 1 [/CIF]
Cu6Zr4
Fdd2
43
orthorhombic
mm2
7,545.683123
false
[CIF] data_Y2ScCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40839333 _cell_length_b 5.40839333 _cell_length_c 5.40839333 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2ScCl _chemical_formula_sum 'Y2 Sc1 Cl1' _cell_volume 111.86386179 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sc Sc1 1 1.91215580 1.91215580 1.91215580 1 Y Y2 1 3.82431160 3.82431160 3.82431160 1 Y Y3 1 5.73646740 5.73646740 5.73646740 1 [/CIF]
ClScY2
F-43m
216
cubic
-43m
3,833.100406
false
[CIF] data_Th2Ru6C5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.14905900 _cell_length_b 9.14905900 _cell_length_c 4.20164600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ru6C5 _chemical_formula_sum 'Th4 Ru12 C10' _cell_volume 351.69995735 _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 Th Th0 1 2.98616137 7.56069087 2.10082300 1 Th Th1 1 7.56069087 6.16289763 2.10082300 1 Th Th2 1 1.58836813 2.98616137 2.10082300 1 Th Th3 1 6.16289763 1.58836813 2.10082300 1 Ru Ru4 1 6.51032400 3.92202776 0.00000000 1 Ru Ru5 1 3.92202776 2.63873500 0.00000000 1 Ru Ru6 1 4.57452950 0.00000000 0.00000000 1 Ru Ru7 1 0.00000000 4.57452950 0.00000000 1 Ru Ru8 1 0.00000000 0.00000000 2.10082300 1 Ru Ru9 1 4.57452950 4.57452950 2.10082300 1 Ru Ru10 1 7.21326450 8.49655726 0.00000000 1 Ru Ru11 1 8.49655726 1.93579450 0.00000000 1 Ru Ru12 1 0.65250174 7.21326450 0.00000000 1 Ru Ru13 1 1.93579450 0.65250174 0.00000000 1 Ru Ru14 1 5.22703124 6.51032400 0.00000000 1 Ru Ru15 1 2.63873500 5.22703124 0.00000000 1 C C16 1 4.57452950 4.57452950 0.00000000 1 C C17 1 0.00000000 0.00000000 0.00000000 1 C C18 1 7.99758588 3.42305638 2.81799355 1 C C19 1 1.15147312 5.72600262 2.81799355 1 C C20 1 7.99758588 3.42305638 1.38365245 1 C C21 1 3.42305638 1.15147312 1.38365245 1 C C22 1 5.72600262 7.99758588 1.38365245 1 C C23 1 1.15147312 5.72600262 1.38365245 1 C C24 1 5.72600262 7.99758588 2.81799355 1 C C25 1 3.42305638 1.15147312 2.81799355 1 [/CIF]
C10Ru12Th4
P4/mbm
127
tetragonal
4/mmm
10,675.7011
false
[CIF] data_Na2TiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.09802210 _cell_length_b 5.09802210 _cell_length_c 5.09802210 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2TiSb _chemical_formula_sum 'Na2 Ti1 Sb1' _cell_volume 93.68933244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.80242300 1.80242300 1.80242300 1 Na Na1 1 5.40726900 5.40726900 5.40726900 1 Sb Sb2 1 3.60484600 3.60484600 3.60484600 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Na2SbTi
Fm-3m
225
cubic
m-3m
3,821.385754
false
[CIF] data_SmFe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.47594542 _cell_length_b 3.47594542 _cell_length_c 3.47594542 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmFe _chemical_formula_sum 'Sm1 Fe1' _cell_volume 41.99705581 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sm Sm1 1 1.73797271 1.73797271 1.73797271 1 [/CIF]
FeSm
Pm-3m
221
cubic
m-3m
8,153.225307
false
[CIF] data_LiLaTa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81181073 _cell_length_b 4.81181073 _cell_length_c 4.81181073 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiLaTa2 _chemical_formula_sum 'Li1 La1 Ta2' _cell_volume 78.77902692 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40246400 3.40246400 3.40246400 1 Li Li1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.70123200 1.70123200 1.70123200 1 Ta Ta3 1 5.10369600 5.10369600 5.10369600 1 [/CIF]
LaLiTa2
Fm-3m
225
cubic
m-3m
10,702.41461
false
[CIF] data_MgSn2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.49590106 _cell_length_b 3.49590106 _cell_length_c 7.42174560 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgSn2P _chemical_formula_sum 'Mg1 Sn2 P1' _cell_volume 90.70355927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 4.08720532 1 P P1 1 1.74795053 1.74795053 5.36849304 1 Sn Sn2 1 0.00000000 0.00000000 7.02332173 1 Sn Sn3 1 1.74795053 1.74795053 2.07534384 1 [/CIF]
MgPSn2
P4mm
99
tetragonal
4mm
5,358.529841
false
[CIF] data_BaNbCdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96407238 _cell_length_b 4.96407238 _cell_length_c 4.96407238 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaNbCdW _chemical_formula_sum 'Ba1 Nb1 Cd1 W1' _cell_volume 86.49665585 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.26519386 5.26519386 5.26519386 1 Cd Cd1 1 1.75506462 1.75506462 1.75506462 1 Nb Nb2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.51012924 3.51012924 3.51012924 1 [/CIF]
BaCdNbW
F-43m
216
cubic
-43m
10,107.302674
false
[CIF] data_TiCdSnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70477413 _cell_length_b 4.70477413 _cell_length_c 4.70477413 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiCdSnW _chemical_formula_sum 'Ti1 Cd1 Sn1 W1' _cell_volume 73.63789015 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.99016654 4.99016654 4.99016654 1 Sn Sn1 1 1.66338885 1.66338885 1.66338884 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 3.32677769 3.32677769 3.32677769 1 [/CIF]
CdSnTiW
F-43m
216
cubic
-43m
10,436.800587
false
[CIF] data_YNbBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.39945528 _cell_length_b 7.39945528 _cell_length_c 4.74619939 _cell_angle_alpha 106.79201540 _cell_angle_beta 106.79201540 _cell_angle_gamma 28.27296360 _symmetry_Int_Tables_number 1 _chemical_formula_structural YNbBr2 _chemical_formula_sum 'Y1 Nb1 Br2' _cell_volume 117.50085425 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.20259461 -0.00000000 2.84990481 1 Br Br1 1 11.73416654 -0.00000000 1.68077308 1 Nb Nb2 1 6.46838057 -0.00000000 2.26533894 1 Y Y3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2NbY
C2/m
12
monoclinic
2/m
4,827.826499
false
[CIF] data_NaSrHgRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.10994855 _cell_length_b 5.10994855 _cell_length_c 5.10994855 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaSrHgRh _chemical_formula_sum 'Na1 Sr1 Hg1 Rh1' _cell_volume 94.34840964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.61327927 3.61327927 3.61327927 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 5.41991891 5.41991891 5.41991891 1 Sr Sr3 1 1.80663964 1.80663964 1.80663964 1 [/CIF]
HgNaRhSr
F-43m
216
cubic
-43m
7,288.283713
false
[CIF] data_DySn2Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.98449254 _cell_length_b 4.98449254 _cell_length_c 4.98449254 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DySn2Pt _chemical_formula_sum 'Dy1 Sn2 Pt1' _cell_volume 87.56848823 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pt Pt1 1 3.52456847 3.52456847 3.52456847 1 Sn Sn2 1 5.28685271 5.28685271 5.28685271 1 Sn Sn3 1 1.76228424 1.76228424 1.76228424 1 [/CIF]
DyPtSn2
Fm-3m
225
cubic
m-3m
11,282.910174
false
[CIF] data_NaTiGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.88026825 _cell_length_b 2.88026825 _cell_length_c 8.80162990 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiGe2 _chemical_formula_sum 'Na1 Ti1 Ge2' _cell_volume 73.01783925 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 1.44013412 1.44013412 6.38681639 1 Ge Ge1 1 1.44013412 1.44013412 2.41481351 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Ti Ti3 1 0.00000000 0.00000000 4.40081495 1 [/CIF]
Ge2NaTi
P4/mmm
123
tetragonal
4/mmm
4,915.28581
false
[CIF] data_Hg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.26950957 _cell_length_b 9.26950957 _cell_length_c 9.26950957 _cell_angle_alpha 162.10227636 _cell_angle_beta 162.10227636 _cell_angle_gamma 25.41630004 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hg2As _chemical_formula_sum 'Hg2 As1' _cell_volume 75.19950796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Hg Hg1 1 0.00000000 -0.00000000 11.93649440 1 Hg Hg2 1 0.00000000 0.00000000 6.14837924 1 [/CIF]
AsHg2
I4/mmm
139
tetragonal
4/mmm
10,513.171268
false
[CIF] data_MnCdPb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62417454 _cell_length_b 3.62417454 _cell_length_c 7.66442191 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnCdPb2 _chemical_formula_sum 'Mn1 Cd1 Pb2' _cell_volume 100.66943100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.83221095 1 Mn Mn1 1 0.00000000 0.00000000 0.00000000 1 Pb Pb2 1 1.81208727 1.81208727 1.66702610 1 Pb Pb3 1 1.81208727 1.81208727 5.99739581 1 [/CIF]
CdMnPb2
P4/mmm
123
tetragonal
4/mmm
9,595.932018
false
[CIF] data_LaHfTl2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.15214182 _cell_length_b 6.15214182 _cell_length_c 6.15214182 _cell_angle_alpha 136.54706226 _cell_angle_beta 136.54706226 _cell_angle_gamma 63.13569284 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHfTl2 _chemical_formula_sum 'La1 Hf1 Tl2' _cell_volume 108.74408033 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27737493 2.62087656 1 La La1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 2.27737493 -0.00000000 2.62087656 1 Tl Tl3 1 0.00000000 -0.00000000 5.24175312 1 [/CIF]
HfLaTl2
I-4m2
119
tetragonal
-42m
11,088.608063
false
[CIF] data_LaBe2Br _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59172798 _cell_length_b 3.59172798 _cell_length_c 6.25549341 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaBe2Br _chemical_formula_sum 'La1 Be2 Br1' _cell_volume 80.69905455 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.79586399 1.79586399 5.10098693 1 Be Be1 1 1.79586399 1.79586399 1.15450648 1 Br Br2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 0.00000000 0.00000000 3.12774670 1 [/CIF]
Be2BrLa
P4/mmm
123
tetragonal
4/mmm
4,873.314016
false
[CIF] data_KTlPdW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95876975 _cell_length_b 4.95876975 _cell_length_c 4.95876975 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KTlPdW _chemical_formula_sum 'K1 Tl1 Pd1 W1' _cell_volume 86.21976466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Pd Pd1 1 5.25956958 5.25956958 5.25956958 1 Tl Tl2 1 3.50637972 3.50637972 3.50637972 1 W W3 1 1.75318986 1.75318986 1.75318986 1 [/CIF]
KPdTlW
F-43m
216
cubic
-43m
10,279.531402
false
[CIF] data_NbZnSbMo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.60115338 _cell_length_b 4.60115338 _cell_length_c 4.60115338 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnSbMo _chemical_formula_sum 'Nb1 Zn1 Sb1 Mo1' _cell_volume 68.87873067 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.88026014 4.88026014 4.88026014 1 Mo Mo1 1 1.62675338 1.62675338 1.62675338 1 Zn Zn2 1 0.00000000 0.00000000 0.00000000 1 Sb Sb3 1 3.25350676 3.25350676 3.25350676 1 [/CIF]
MoNbSbZn
F-43m
216
cubic
-43m
9,064.819824
false
[CIF] data_HfP2Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97465354 _cell_length_b 4.97465354 _cell_length_c 4.08538325 _cell_angle_alpha 99.39274430 _cell_angle_beta 99.39274430 _cell_angle_gamma 39.25482873 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfP2Rh _chemical_formula_sum 'Hf1 P2 Rh1' _cell_volume 63.00655294 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.74117051 -0.00000000 0.68607003 1 P P1 1 9.33692163 -0.00000000 0.19451299 1 P P2 1 1.96728642 -0.00000000 2.73512915 1 Rh Rh3 1 4.32087157 -0.00000000 2.41967331 1 [/CIF]
HfP2Rh
Cm
8
monoclinic
m
9,048.81283
false
[CIF] data_MgZrSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77893629 _cell_length_b 4.77893629 _cell_length_c 4.77893629 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgZrSn _chemical_formula_sum 'Mg1 Zr1 Sn1' _cell_volume 77.17537093 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 0.00000000 0.00000000 0.00000000 1 Sn Sn1 1 5.06882739 5.06882739 5.06882739 1 Zr Zr2 1 3.37921826 3.37921826 3.37921826 1 [/CIF]
MgSnZr
F-43m
216
cubic
-43m
5,039.988869
false
[CIF] data_KMnTlIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91934172 _cell_length_b 4.91934172 _cell_length_c 4.91934172 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMnTlIr _chemical_formula_sum 'K1 Mn1 Tl1 Ir1' _cell_volume 84.17942939 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47849989 3.47849989 3.47849989 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mn Mn2 1 5.21774984 5.21774984 5.21774983 1 Tl Tl3 1 1.73924995 1.73924995 1.73924995 1 [/CIF]
IrKMnTl
F-43m
216
cubic
-43m
9,678.389631
false
[CIF] data_AlIrOs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.76535157 _cell_length_b 3.85947062 _cell_length_c 5.37511597 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlIrOs2 _chemical_formula_sum 'Al1 Ir1 Os2' _cell_volume 57.36750084 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 0.00000000 0.00000000 2.68755799 1 Os Os2 1 1.38267579 1.92973531 4.05134208 1 Os Os3 1 1.38267579 1.92973531 1.32377389 1 [/CIF]
AlIrOs2
Pmmm
47
orthorhombic
mmm
17,357.500594
false
[CIF] data_KIrBr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14868113 _cell_length_b 5.14868113 _cell_length_c 5.14868113 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KIrBr2 _chemical_formula_sum 'K1 Ir1 Br2' _cell_volume 96.51014966 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Br Br0 1 1.82033367 1.82033367 1.82033367 1 Br Br1 1 5.46100101 5.46100101 5.46100101 1 Ir Ir2 1 3.64066734 3.64066734 3.64066734 1 K K3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Br2IrK
Fm-3m
225
cubic
m-3m
6,729.608459
false
[CIF] data_HfMgW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.64000411 _cell_length_b 4.64000411 _cell_length_c 4.64000411 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfMgW2 _chemical_formula_sum 'Hf1 Mg1 W2' _cell_volume 70.63827695 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.28097837 3.28097837 3.28097837 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 W W2 1 1.64048918 1.64048918 1.64048918 1 W W3 1 4.92146755 4.92146755 4.92146755 1 [/CIF]
HfMgW2
Fm-3m
225
cubic
m-3m
13,410.519975
false
[CIF] data_Al4Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.29924690 _cell_length_b 9.29924690 _cell_length_c 5.23227602 _cell_angle_alpha 92.80230955 _cell_angle_beta 92.80230955 _cell_angle_gamma 147.06183221 _symmetry_Int_Tables_number 1 _chemical_formula_structural Al4Mo _chemical_formula_sum 'Al12 Mo3' _cell_volume 242.33518616 _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 Al Al0 1 0.38807817 0.00000000 2.68423255 1 Al Al1 1 2.58517810 0.00000000 0.82518351 1 Al Al2 1 2.94510430 1.37153571 3.58956861 1 Al Al3 1 4.19358261 2.10068772 1.16284105 1 Al Al4 1 0.32075548 2.19718464 4.23492652 1 Al Al5 1 3.18069703 4.19267068 3.06506862 1 Al Al6 1 2.77741133 4.45622468 0.43734326 1 Al Al7 1 2.77741133 -4.45622468 0.43734326 1 Al Al8 1 3.18069703 -4.19267068 3.06506862 1 Al Al9 1 0.32075548 -2.19718464 4.23492652 1 Al Al10 1 4.19358261 -2.10068772 1.16284105 1 Al Al11 1 2.94510430 -1.37153571 3.58956861 1 Mo Mo12 1 0.03602093 0.00000000 0.01320281 1 Mo Mo13 1 1.52931521 2.44800789 1.76876278 1 Mo Mo14 1 1.52931521 -2.44800789 1.76876278 1 [/CIF]
Al12Mo3
Cm
8
monoclinic
m
4,191.231119
false
[CIF] data_Ca2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.94489472 _cell_length_b 6.94489472 _cell_length_c 6.94489472 _cell_angle_alpha 153.29925518 _cell_angle_beta 153.29925518 _cell_angle_gamma 38.11893199 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2C _chemical_formula_sum 'Ca2 C1' _cell_volume 67.52104263 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy C C0 1 0.00000000 0.00000000 0.00000000 1 Ca Ca1 1 0.00000000 0.00000000 7.98336292 1 Ca Ca2 1 -0.00000000 0.00000000 5.14499058 1 [/CIF]
CCa2
I4/mmm
139
tetragonal
4/mmm
2,266.647552
false
[CIF] data_CaBPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46968286 _cell_length_b 4.46968286 _cell_length_c 4.46968286 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBPt _chemical_formula_sum 'Ca1 B1 Pt1' _cell_volume 63.14153427 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ca Ca1 1 4.74081459 4.74081459 4.74081459 1 Pt Pt2 1 3.16054306 3.16054306 3.16054306 1 [/CIF]
BCaPt
F-43m
216
cubic
-43m
6,468.765457
false
[CIF] data_HfZrTi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.66504491 _cell_length_b 4.66504491 _cell_length_c 4.66504491 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZrTi _chemical_formula_sum 'Hf1 Zr1 Ti1' _cell_volume 71.78810495 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.94802734 4.94802734 4.94802733 1 Ti Ti1 1 0.00000000 0.00000000 0.00000000 1 Zr Zr2 1 3.29868489 3.29868489 3.29868489 1 [/CIF]
HfTiZr
F-43m
216
cubic
-43m
7,346.00332
false
[CIF] data_Y2TcGe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80776695 _cell_length_b 4.80776695 _cell_length_c 3.68705876 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y2TcGe _chemical_formula_sum 'Y2 Tc1 Ge1' _cell_volume 85.22497338 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Tc Tc1 1 2.40388348 2.40388348 0.00000000 1 Y Y2 1 2.40388348 0.00000000 1.84352938 1 Y Y3 1 0.00000000 2.40388348 1.84352938 1 [/CIF]
GeTcY2
P4/mmm
123
tetragonal
4/mmm
6,806.953621
false
[CIF] data_RuAuO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.89646738 _cell_length_b 5.89646738 _cell_length_c 5.89646738 _cell_angle_alpha 53.91120736 _cell_angle_beta 53.91120736 _cell_angle_gamma 53.91120736 _symmetry_Int_Tables_number 1 _chemical_formula_structural RuAuO3 _chemical_formula_sum 'Ru2 Au2 O6' _cell_volume 124.34079114 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 -0.00000000 0.00000000 9.45853176 1 Au Au1 1 -0.00000000 0.00000000 5.61410046 1 O O2 1 -1.06012820 1.74504296 8.59869055 1 O O3 1 2.04131563 0.04557647 8.59869055 1 O O4 1 -0.98118743 -1.79061943 8.59869055 1 O O5 1 0.98118743 1.79061943 6.47394167 1 O O6 1 -2.04131563 -0.04557647 6.47394167 1 O O7 1 1.06012820 -1.74504296 6.47394167 1 Ru Ru8 1 -0.00000000 -0.00000000 12.65273619 1 Ru Ru9 1 -0.00000000 -0.00000000 2.41989603 1 [/CIF]
Au2O6Ru2
R-3
148
trigonal
-3
9,242.409708
false
[CIF] data_NaTiNbTl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.87113979 _cell_length_b 4.87113979 _cell_length_c 4.87113979 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaTiNbTl _chemical_formula_sum 'Na1 Ti1 Nb1 Tl1' _cell_volume 81.72911232 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.16662397 5.16662397 5.16662397 1 Ti Ti2 1 3.44441598 3.44441598 3.44441598 1 Tl Tl3 1 1.72220799 1.72220799 1.72220799 1 [/CIF]
NaNbTiTl
F-43m
216
cubic
-43m
7,479.85074
false
[CIF] data_SrInIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.28265272 _cell_length_b 9.28265272 _cell_length_c 9.28265272 _cell_angle_alpha 19.75857144 _cell_angle_beta 19.75857144 _cell_angle_gamma 19.75857144 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrInIr2 _chemical_formula_sum 'Sr1 In1 Ir2' _cell_volume 79.94840128 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 13.64798783 1 Ir Ir1 1 -0.00000000 0.00000000 20.66272603 1 Ir Ir2 1 -0.00000000 0.00000000 6.63324964 1 Sr Sr3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
InIr2Sr
R-3m
166
trigonal
-3m
12,189.410518
false
[CIF] data_Sr2SnRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59297037 _cell_length_b 3.59297037 _cell_length_c 9.26359982 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sr2SnRu _chemical_formula_sum 'Sr2 Sn1 Ru1' _cell_volume 119.58784974 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 0.00000000 5.17993786 1 Sn Sn1 1 1.79648519 1.79648519 6.31640564 1 Sr Sr2 1 0.00000000 0.00000000 8.60676103 1 Sr Sr3 1 1.79648519 1.79648519 3.05589502 1 [/CIF]
RuSnSr2
P4mm
99
tetragonal
4mm
5,485.056747
false
[CIF] data_SrTi2Os _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75914705 _cell_length_b 4.75914705 _cell_length_c 3.28327602 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.00276981 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrTi2Os _chemical_formula_sum 'Sr1 Ti2 Os1' _cell_volume 74.35310783 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.33564821 -0.00000000 0.00000000 1 Sr Sr1 1 0.00000000 0.00000000 0.00000000 1 Ti Ti2 1 1.66782411 1.69727220 1.64163801 1 Ti Ti3 1 1.66782411 -1.69727220 1.64163801 1 [/CIF]
OsSrTi2
Cmmm
65
orthorhombic
mmm
8,343.307291
false
[CIF] data_DyZnRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57388627 _cell_length_b 4.57388627 _cell_length_c 4.57388627 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural DyZnRh2 _chemical_formula_sum 'Dy1 Zn1 Rh2' _cell_volume 67.66141687 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.23422600 3.23422600 3.23422600 1 Zn Zn1 1 0.00000000 0.00000000 0.00000000 1 Rh Rh2 1 1.61711300 1.61711300 1.61711300 1 Rh Rh3 1 4.85133900 4.85133900 4.85133900 1 [/CIF]
DyRh2Zn
Fm-3m
225
cubic
m-3m
10,643.596922
false
[CIF] data_KNa2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.37834732 _cell_length_b 6.37834732 _cell_length_c 6.37834732 _cell_angle_alpha 143.27074465 _cell_angle_beta 130.71821456 _cell_angle_gamma 63.01162077 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNa2Pd _chemical_formula_sum 'K1 Na2 Pd1' _cell_volume 116.24751376 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy K K0 1 0.00000000 0.00000000 0.00000000 1 Na Na1 1 -0.00000000 2.65932192 2.67194430 1 Na Na2 1 2.00958236 -0.00000000 2.76615281 1 Pd Pd3 1 0.00000000 0.00000000 5.43809711 1 [/CIF]
KNa2Pd
Immm
71
orthorhombic
mmm
2,735.453274
false
[CIF] data_SrYCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91188467 _cell_length_b 4.91188467 _cell_length_c 4.91188467 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SrYCu2 _chemical_formula_sum 'Sr1 Y1 Cu2' _cell_volume 83.79719589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Cu Cu1 1 5.20984044 5.20984044 5.20984044 1 Sr Sr2 1 3.47322696 3.47322696 3.47322696 1 Y Y3 1 1.73661348 1.73661348 1.73661348 1 [/CIF]
Cu2SrY
F-43m
216
cubic
-43m
6,016.541436
false
[CIF] data_Ni4AgSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.86237190 _cell_length_b 4.86237190 _cell_length_c 4.86237190 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ni4AgSn _chemical_formula_sum 'Ni4 Ag1 Sn1' _cell_volume 81.28857675 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ni Ni1 1 4.29803114 4.29803114 2.57840114 1 Ni Ni2 1 4.29803114 2.57840114 4.29803114 1 Ni Ni3 1 2.57840114 4.29803114 4.29803114 1 Ni Ni4 1 2.57840114 2.57840114 2.57840114 1 Sn Sn5 1 5.15732421 5.15732421 5.15732421 1 [/CIF]
AgNi4Sn
F-43m
216
cubic
-43m
9,424.358476
false
[CIF] data_YAuF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52410394 _cell_length_b 4.52410394 _cell_length_c 4.52410394 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAuF3 _chemical_formula_sum 'Y1 Au1 F3' _cell_volume 92.59717186 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 2.26205197 2.26205197 2.26205197 1 F F1 1 0.00000000 2.26205197 2.26205197 1 F F2 1 2.26205197 0.00000000 2.26205197 1 F F3 1 2.26205197 2.26205197 0.00000000 1 Y Y4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AuF3Y
Pm-3m
221
cubic
m-3m
6,148.622906
false
[CIF] data_LaHf2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.93469073 _cell_length_b 5.93469073 _cell_length_c 3.63078583 _cell_angle_alpha 107.76000126 _cell_angle_beta 107.76000126 _cell_angle_gamma 117.93860360 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaHf2P _chemical_formula_sum 'La1 Hf2 P1' _cell_volume 91.07325788 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Hf Hf0 1 1.52965840 -2.54269221 0.00000000 1 Hf Hf1 1 1.52965840 2.54269221 0.00000000 1 La La2 1 3.05931680 0.00000000 0.00000000 1 P P3 1 -0.00000000 0.00000000 0.00000000 1 [/CIF]
Hf2LaP
C2/m
12
monoclinic
2/m
9,606.226435
false
[CIF] data_CuReMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51503384 _cell_length_b 4.51503384 _cell_length_c 4.51503384 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CuReMoPb _chemical_formula_sum 'Re1 Cu1 Mo1 Pb1' _cell_volume 65.08307030 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mo Mo0 1 4.78891657 4.78891657 4.78891657 1 Re Re1 1 1.59630552 1.59630552 1.59630552 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 3.19261105 3.19261105 3.19261105 1 [/CIF]
CuMoPbRe
F-43m
216
cubic
-43m
14,107.103932
false
[CIF] data_Zn2P2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11509388 _cell_length_b 6.11509388 _cell_length_c 6.11509388 _cell_angle_alpha 138.95695457 _cell_angle_beta 138.95695457 _cell_angle_gamma 59.44049370 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zn2P2Pb _chemical_formula_sum 'Zn2 P2 Pb1' _cell_volume 97.62030264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy P P0 1 -0.00000000 2.14370248 2.65534614 1 P P1 1 2.14370248 -0.00000000 2.65534614 1 Pb Pb2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.00000000 0.00000000 6.57522621 1 Zn Zn4 1 0.00000000 -0.00000000 4.04615835 1 [/CIF]
P2PbZn2
I4/mmm
139
tetragonal
4/mmm
6,802.499569
false
[CIF] data_HfTaVGa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.59214163 _cell_length_b 4.59214163 _cell_length_c 4.59214163 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfTaVGa _chemical_formula_sum 'Hf1 Ta1 V1 Ga1' _cell_volume 68.47480837 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.24713449 3.24713449 3.24713449 1 Hf Hf1 1 1.62356724 1.62356724 1.62356724 1 Ta Ta2 1 4.87070173 4.87070173 4.87070173 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
GaHfTaV
F-43m
216
cubic
-43m
11,642.657744
false
[CIF] data_ScFe2B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08079097 _cell_length_b 4.08079097 _cell_length_c 4.08079097 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScFe2B _chemical_formula_sum 'Sc1 Fe2 B1' _cell_volume 48.05272842 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.88555497 2.88555497 2.88555497 1 Fe Fe2 1 4.32833245 4.32833245 4.32833245 1 Sc Sc3 1 1.44277749 1.44277749 1.44277749 1 [/CIF]
BFe2Sc
F-43m
216
cubic
-43m
5,786.742053
false
[CIF] data_NaLaCrPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.41894339 _cell_length_b 5.41894339 _cell_length_c 5.41894339 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLaCrPb _chemical_formula_sum 'Na1 La1 Cr1 Pb1' _cell_volume 112.51977244 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.74765743 5.74765743 5.74765743 1 La La1 1 3.83177162 3.83177162 3.83177162 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pb Pb3 1 1.91588581 1.91588581 1.91588581 1 [/CIF]
CrLaNaPb
F-43m
216
cubic
-43m
6,214.36219
false
[CIF] data_Th2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.57169500 _cell_length_b 4.57169500 _cell_length_c 4.57169500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2O3 _chemical_formula_sum 'Th2 O3' _cell_volume 95.55023211 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.28584750 2.28584750 0.00000000 1 O O1 1 2.28584750 0.00000000 2.28584750 1 O O2 1 0.00000000 2.28584750 2.28584750 1 Th Th3 1 0.00000000 0.00000000 0.00000000 1 Th Th4 1 2.28584750 2.28584750 2.28584750 1 [/CIF]
O3Th2
Pm-3m
221
cubic
m-3m
8,899.187313
false
[CIF] data_CoTe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05166490 _cell_length_b 5.05166490 _cell_length_c 5.05166490 _cell_angle_alpha 121.08260245 _cell_angle_beta 121.08260245 _cell_angle_gamma 88.13488732 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoTe2Cl _chemical_formula_sum 'Co1 Te2 Cl1' _cell_volume 89.61351018 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Co Co1 1 2.48438881 0.00000000 1.81486520 1 Te Te2 1 0.00000000 -0.00000000 3.62973040 1 Te Te3 1 0.00000000 2.48438881 1.81486520 1 [/CIF]
ClCoTe2
I-4m2
119
tetragonal
-42m
6,477.835014
false
[CIF] data_Zr2OsW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05600664 _cell_length_b 3.05600664 _cell_length_c 8.27266996 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2OsW _chemical_formula_sum 'Zr2 Os1 W1' _cell_volume 77.25992558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.52800332 1.52800332 4.39112031 1 W W1 1 0.00000000 0.00000000 5.90682674 1 Zr Zr2 1 1.52800332 1.52800332 7.97180007 1 Zr Zr3 1 0.00000000 0.00000000 2.41192770 1 [/CIF]
OsWZr2
P4mm
99
tetragonal
4mm
11,961.180048
false
[CIF] data_KAgMoPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25074276 _cell_length_b 5.25074276 _cell_length_c 5.25074276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KAgMoPb _chemical_formula_sum 'K1 Ag1 Mo1 Pb1' _cell_volume 102.36399529 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.71283581 3.71283581 3.71283581 1 K K1 1 0.00000000 0.00000000 0.00000000 1 Mo Mo2 1 5.56925372 5.56925372 5.56925371 1 Pb Pb3 1 1.85641791 1.85641791 1.85641791 1 [/CIF]
AgKMoPb
F-43m
216
cubic
-43m
7,301.909583
false
[CIF] data_InTeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85235236 _cell_length_b 4.85235236 _cell_length_c 3.14246196 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 100.21508888 _symmetry_Int_Tables_number 1 _chemical_formula_structural InTeIr2 _chemical_formula_sum 'In1 Te1 Ir2' _cell_volume 72.81745877 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.55602472 1.86148272 1.57123098 1 Ir Ir2 1 1.55602472 -1.86148273 1.57123098 1 Te Te3 1 3.11204944 -0.00000000 0.00000000 1 [/CIF]
InIr2Te
Cmmm
65
orthorhombic
mmm
14,294.816828
false
[CIF] data_Re3IrF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.77020491 _cell_length_b 4.77020491 _cell_length_c 4.77020491 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Re3IrF _chemical_formula_sum 'Re3 Ir1 F1' _cell_volume 108.54532049 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.38510246 0.00000000 2.38510246 1 Re Re1 1 2.38510246 2.38510246 0.00000000 1 Re Re2 1 0.00000000 2.38510246 2.38510246 1 Ir Ir3 1 2.38510246 2.38510246 2.38510246 1 F F4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FIrRe3
Pm-3m
221
cubic
m-3m
11,777.047749
false
[CIF] data_Ba2LaCu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.12778564 _cell_length_b 6.12778564 _cell_length_c 4.12540437 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LaCu _chemical_formula_sum 'Ba2 La1 Cu1' _cell_volume 154.90793100 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.06389282 0.00000000 2.06270219 1 Ba Ba1 1 0.00000000 3.06389282 2.06270219 1 Cu Cu2 1 0.00000000 0.00000000 0.00000000 1 La La3 1 3.06389282 3.06389282 0.00000000 1 [/CIF]
Ba2CuLa
P4/mmm
123
tetragonal
4/mmm
5,114.342866
false
[CIF] data_BeCoW2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.51263518 _cell_length_b 4.51263518 _cell_length_c 2.66455834 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 106.94420281 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeCoW2 _chemical_formula_sum 'Be1 Co1 W2' _cell_volume 51.90522490 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.68598423 -0.00000000 0.00000000 1 W W2 1 1.34299212 -1.81310266 1.33227917 1 W W3 1 1.34299212 1.81310265 1.33227917 1 [/CIF]
BeCoW2
Cmmm
65
orthorhombic
mmm
13,936.418892
false
[CIF] data_TcO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17031682 _cell_length_b 3.17031682 _cell_length_c 3.17031682 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TcO _chemical_formula_sum 'Tc1 O1' _cell_volume 22.53164996 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.00000000 1 Tc Tc1 1 2.24175252 2.24175252 2.24175252 1 [/CIF]
OTc
Fm-3m
225
cubic
m-3m
8,468.320702
false
[CIF] data_BeAsOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.97604505 _cell_length_b 3.97604505 _cell_length_c 3.97604505 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BeAsOs _chemical_formula_sum 'Be1 As1 Os1' _cell_volume 44.44663564 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.21723263 4.21723263 4.21723263 1 Be Be1 1 0.00000000 0.00000000 0.00000000 1 Os Os2 1 2.81148842 2.81148842 2.81148842 1 [/CIF]
AsBeOs
F-43m
216
cubic
-43m
10,242.837599
false
[CIF] data_Tl4AgBr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.47918234 _cell_length_b 6.47918234 _cell_length_c 6.47918234 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tl4AgBr _chemical_formula_sum 'Tl4 Ag1 Br1' _cell_volume 192.32937003 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 6.87221065 6.87221065 6.87221065 1 Br Br1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 5.72484484 5.72484484 3.43810270 1 Tl Tl3 1 5.72484484 3.43810270 5.72484484 1 Tl Tl4 1 3.43810270 5.72484484 5.72484484 1 Tl Tl5 1 3.43810270 3.43810270 3.43810270 1 [/CIF]
AgBrTl4
F-43m
216
cubic
-43m
8,679.635826
false
[CIF] data_MgBi2Sb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.40975767 _cell_length_b 4.11262301 _cell_length_c 8.09464278 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2Sb _chemical_formula_sum 'Mg1 Bi2 Sb1' _cell_volume 113.51156305 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 8.01484595 1 Bi Bi1 1 1.70487883 2.05631151 2.23876223 1 Mg Mg2 1 0.00000000 0.00000000 4.19144521 1 Sb Sb3 1 1.70487883 2.05631151 5.79155356 1 [/CIF]
Bi2MgSb
Pmm2
25
orthorhombic
mm2
8,251.026154
false
[CIF] data_SnHg2Te _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79959519 _cell_length_b 3.79959519 _cell_length_c 7.53906204 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnHg2Te _chemical_formula_sum 'Sn1 Hg2 Te1' _cell_volume 108.84086275 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.89979759 1.89979759 5.66477281 1 Hg Hg1 1 1.89979759 1.89979759 1.87428923 1 Sn Sn2 1 0.00000000 0.00000000 0.00000000 1 Te Te3 1 0.00000000 0.00000000 3.76953102 1 [/CIF]
Hg2SnTe
P4/mmm
123
tetragonal
4/mmm
9,878.481419
false
[CIF] data_VRePb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.35955997 _cell_length_b 4.35955997 _cell_length_c 4.35955997 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural VRePb _chemical_formula_sum 'V1 Re1 Pb1' _cell_volume 58.58857992 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.54133721 1.54133721 1.54133721 1 Re Re1 1 4.62401163 4.62401163 4.62401163 1 V V2 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
PbReV
F-43m
216
cubic
-43m
12,593.888508
false
[CIF] data_AlRe2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.75694027 _cell_length_b 4.26420060 _cell_length_c 5.38389128 _cell_angle_alpha 90.00000000 _cell_angle_beta 98.13525727 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AlRe2Au _chemical_formula_sum 'Al1 Re2 Au1' _cell_volume 62.65687327 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Au Au1 1 -0.38093836 0.00000000 2.66485596 1 Re Re2 1 0.98708670 2.13210030 4.14421541 1 Re Re3 1 1.00797684 2.13210030 1.18549651 1 [/CIF]
AlAuRe2
P2/m
10
monoclinic
2/m
15,804.851499
false
[CIF] data_NaYTlIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39491650 _cell_length_b 5.39491650 _cell_length_c 5.39491650 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYTlIn _chemical_formula_sum 'Na1 Y1 Tl1 In1' _cell_volume 111.02970440 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy In In0 1 1.90739102 1.90739102 1.90739102 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Tl Tl2 1 3.81478204 3.81478204 3.81478204 1 Y Y3 1 5.72217306 5.72217306 5.72217306 1 [/CIF]
InNaTlY
F-43m
216
cubic
-43m
6,447.40324
false
[CIF] data_ScHgIrW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65495643 _cell_length_b 4.65495643 _cell_length_c 4.65495643 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScHgIrW _chemical_formula_sum 'Sc1 Hg1 Ir1 W1' _cell_volume 71.32337147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.93732689 4.93732689 4.93732689 1 Ir Ir1 1 1.64577563 1.64577563 1.64577563 1 Sc Sc2 1 -0.00000000 -0.00000000 -0.00000000 1 W W3 1 3.29155126 3.29155126 3.29155126 1 [/CIF]
HgIrScW
F-43m
216
cubic
-43m
14,472.057308
false
[CIF] data_LaTaCu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89656723 _cell_length_b 4.89656723 _cell_length_c 3.12806065 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTaCu2 _chemical_formula_sum 'La1 Ta1 Cu2' _cell_volume 74.99954152 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.44828362 0.00000000 1.56403033 1 Cu Cu1 1 0.00000000 2.44828362 1.56403033 1 La La2 1 0.00000000 0.00000000 0.00000000 1 Ta Ta3 1 2.44828362 2.44828362 0.00000000 1 [/CIF]
Cu2LaTa
P4/mmm
123
tetragonal
4/mmm
9,895.670543
false
[CIF] data_CoOsPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.70482853 _cell_length_b 3.88653887 _cell_length_c 5.29460240 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CoOsPd2 _chemical_formula_sum 'Co1 Os1 Pd2' _cell_volume 55.65909061 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Os Os1 1 0.00000000 0.00000000 2.64730120 1 Pd Pd2 1 1.35241426 1.94326944 3.98132318 1 Pd Pd3 1 1.35241426 1.94326944 1.31327922 1 [/CIF]
CoOsPd2
Pmmm
47
orthorhombic
mmm
13,783.451108
false
[CIF] data_LaGaPtAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.93110276 _cell_length_b 4.93110276 _cell_length_c 4.93110276 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaGaPtAu _chemical_formula_sum 'La1 Ga1 Pt1 Au1' _cell_volume 84.78463618 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.74340810 1.74340810 1.74340810 1 Ga Ga1 1 0.00000000 -0.00000000 0.00000000 1 La La2 1 5.23022430 5.23022430 5.23022430 1 Pt Pt3 1 3.48681620 3.48681620 3.48681620 1 [/CIF]
AuGaLaPt
F-43m
216
cubic
-43m
11,764.525457
false
[CIF] data_FePdRh2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.65641172 _cell_length_b 2.65641172 _cell_length_c 9.04186557 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.10100375 _symmetry_Int_Tables_number 1 _chemical_formula_structural FePdRh2 _chemical_formula_sum 'Fe1 Pd1 Rh2' _cell_volume 55.74973655 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Pd Pd1 1 0.00000000 0.00000000 4.52093278 1 Rh Rh2 1 1.34621289 0.00000000 6.94757492 1 Rh Rh3 1 1.34621289 0.00000000 2.09429065 1 [/CIF]
FePdRh2
Cmmm
65
orthorhombic
mmm
10,963.362614
false
[CIF] data_YAg2As _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89795451 _cell_length_b 4.89795451 _cell_length_c 4.89795451 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YAg2As _chemical_formula_sum 'Y1 Ag2 As1' _cell_volume 83.08626659 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.46337685 3.46337685 3.46337685 1 Ag Ag1 1 1.73168843 1.73168843 1.73168842 1 As As2 1 0.00000000 0.00000000 0.00000000 1 Y Y3 1 5.19506528 5.19506528 5.19506528 1 [/CIF]
Ag2AsY
F-43m
216
cubic
-43m
7,585.857772
false
[CIF] data_ZrTi2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.89365645 _cell_length_b 4.65952477 _cell_length_c 5.65589157 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.37990163 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTi2Ag _chemical_formula_sum 'Zr1 Ti2 Ag1' _cell_volume 74.75953466 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 -0.22801127 2.32976238 4.17561111 1 Ti Ti1 1 2.78216344 0.00000000 0.18469892 1 Ti Ti2 1 1.98862895 2.32976238 1.21966013 1 Zr Zr3 1 1.01738468 0.00000000 2.73707870 1 [/CIF]
AgTi2Zr
Pm
6
monoclinic
m
6,548.601796
false
[CIF] data_TiFeHgOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46010846 _cell_length_b 4.46010846 _cell_length_c 4.46010846 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TiFeHgOs _chemical_formula_sum 'Ti1 Fe1 Hg1 Os1' _cell_volume 62.73664113 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 4.73065941 4.73065941 4.73065941 1 Hg Hg1 1 3.15377294 3.15377294 3.15377294 1 Os Os2 1 1.57688647 1.57688647 1.57688647 1 Ti Ti3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
FeHgOsTi
F-43m
216
cubic
-43m
13,089.475159
false
[CIF] data_BaTiMnW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.73714386 _cell_length_b 4.73714386 _cell_length_c 4.73714386 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaTiMnW _chemical_formula_sum 'Ba1 Ti1 Mn1 W1' _cell_volume 75.16829938 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.02449982 5.02449983 5.02449983 1 Mn Mn1 1 3.34966655 3.34966655 3.34966655 1 Ti Ti2 1 0.00000000 0.00000000 0.00000000 1 W W3 1 1.67483327 1.67483327 1.67483327 1 [/CIF]
BaMnTiW
F-43m
216
cubic
-43m
9,365.944816
false
[CIF] data_Mg2VRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.25876478 _cell_length_b 5.25876478 _cell_length_c 2.65987496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.30944619 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2VRe _chemical_formula_sum 'Mg2 V1 Re1' _cell_volume 64.14155851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Mg Mg0 1 1.32838961 2.26914803 1.32993748 1 Mg Mg1 1 1.32838962 -2.26914803 1.32993748 1 Re Re2 1 2.65677923 -0.00000000 0.00000000 1 V V3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
Mg2ReV
Cmmm
65
orthorhombic
mmm
7,397.904945
false
[CIF] data_TaGeSb4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.03372792 _cell_length_b 6.03372792 _cell_length_c 6.03372792 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaGeSb4 _chemical_formula_sum 'Ta1 Ge1 Sb4' _cell_volume 155.32528904 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sb Sb1 1 5.33033353 5.33033353 3.20264633 1 Sb Sb2 1 5.33033353 3.20264633 5.33033353 1 Sb Sb3 1 3.20264633 5.33033353 5.33033353 1 Sb Sb4 1 3.20264633 3.20264633 3.20264633 1 Ta Ta5 1 6.39973489 6.39973489 6.39973490 1 [/CIF]
GeSb4Ta
F-43m
216
cubic
-43m
7,917.844777
false
[CIF] data_Th2InB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17895755 _cell_length_b 5.17895755 _cell_length_c 5.17895755 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2InB _chemical_formula_sum 'Th2 In1 B1' _cell_volume 98.22274225 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 In In1 1 3.66207600 3.66207600 3.66207600 1 Th Th2 1 1.83103800 1.83103800 1.83103800 1 Th Th3 1 5.49311400 5.49311400 5.49311400 1 [/CIF]
BInTh2
Fm-3m
225
cubic
m-3m
9,969.46702
false
[CIF] data_NaMgCdPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80898157 _cell_length_b 4.80898157 _cell_length_c 4.80898157 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaMgCdPd _chemical_formula_sum 'Na1 Mg1 Cd1 Pd1' _cell_volume 78.64015136 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.40046348 3.40046348 3.40046348 1 Mg Mg1 1 5.10069522 5.10069522 5.10069522 1 Na Na2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 1.70023174 1.70023174 1.70023174 1 [/CIF]
CdMgNaPd
F-43m
216
cubic
-43m
5,619.422507
false
[CIF] data_CdSiMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54333031 _cell_length_b 4.54333031 _cell_length_c 4.54333031 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CdSiMo3 _chemical_formula_sum 'Cd1 Si1 Mo3' _cell_volume 93.78274415 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.27166515 0.00000000 1 Mo Mo1 1 0.00000000 0.00000000 2.27166515 1 Mo Mo2 1 2.27166515 0.00000000 0.00000000 1 Si Si3 1 0.00000000 0.00000000 0.00000000 1 Cd Cd4 1 2.27166515 2.27166515 2.27166515 1 [/CIF]
CdMo3Si
Pm-3m
221
cubic
m-3m
7,584.93388
false
[CIF] data_Li2Fe3CoO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.85755833 _cell_length_b 5.85755833 _cell_length_c 5.85755833 _cell_angle_alpha 61.09813816 _cell_angle_beta 61.09813816 _cell_angle_gamma 61.09813816 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Fe3CoO8 _chemical_formula_sum 'Li2 Fe3 Co1 O8' _cell_volume 145.62623851 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 5.33272057 1 Li Li1 1 -0.00000000 0.00000000 8.89507637 1 Fe Fe2 1 1.48862842 0.85946002 2.37129949 1 Fe Fe3 1 -1.48862842 0.85946002 2.37129949 1 Fe Fe4 1 -0.00000000 -1.71892004 2.37129949 1 Co Co5 1 -0.00000000 -0.00000000 0.00000000 1 O O6 1 -0.00000000 0.00000000 3.38455102 1 O O7 1 0.00000000 -1.92581270 5.91893426 1 O O8 1 -1.66780272 0.96290635 5.91893426 1 O O9 1 1.66780272 0.96290635 5.91893426 1 O O10 1 -1.66780272 -0.96290635 8.30886268 1 O O11 1 1.66780272 -0.96290635 8.30886268 1 O O12 1 0.00000000 1.92581270 8.30886268 1 O O13 1 0.00000000 0.00000000 10.84324592 1 [/CIF]
CoFe3Li2O8
R-3m
166
trigonal
-3m
4,200.149271
false
[CIF] data_ZrTiNi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.17704324 _cell_length_b 3.17704324 _cell_length_c 5.95252503 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrTiNi2 _chemical_formula_sum 'Zr1 Ti1 Ni2' _cell_volume 60.08242896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 0.12564745 1 Ni Ni1 1 1.58852162 1.58852162 1.51201975 1 Ti Ti2 1 0.00000000 0.00000000 2.66393787 1 Zr Zr3 1 1.58852162 1.58852162 4.62718253 1 [/CIF]
Ni2TiZr
P4mm
99
tetragonal
4mm
7,088.458825
false
[CIF] data_KMg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.69891056 _cell_length_b 5.69891056 _cell_length_c 9.89278979 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg3 _chemical_formula_sum 'K2 Mg6' _cell_volume 278.24866901 _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 K K0 1 0.00000000 3.29026755 2.47319745 1 K K1 1 2.84945528 1.64513377 7.41959234 1 Mg Mg2 1 0.00000000 3.29026755 5.87649204 1 Mg Mg3 1 2.84945528 1.64513377 0.93009714 1 Mg Mg4 1 2.84945528 1.64513377 4.01629775 1 Mg Mg5 1 -0.00000000 3.29026755 8.96269265 1 Mg Mg6 1 0.00000000 0.00000000 2.47319745 1 Mg Mg7 1 0.00000000 0.00000000 7.41959234 1 [/CIF]
K2Mg6
P6_3/mmc
194
hexagonal
6/mmm
1,336.951305
false
[CIF] data_YHfNbAl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.91489105 _cell_length_b 4.91489105 _cell_length_c 4.91489105 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YHfNbAl _chemical_formula_sum 'Y1 Hf1 Nb1 Al1' _cell_volume 83.95115730 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.47535279 3.47535279 3.47535279 1 Nb Nb2 1 1.73767640 1.73767640 1.73767640 1 Y Y3 1 5.21302919 5.21302919 5.21302918 1 [/CIF]
AlHfNbY
F-43m
216
cubic
-43m
7,660.404553
false
[CIF] data_YBeReTc _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.50996508 _cell_length_b 4.50996508 _cell_length_c 4.50996508 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YBeReTc _chemical_formula_sum 'Y1 Be1 Re1 Tc1' _cell_volume 64.86412133 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Re Re1 1 3.18902689 3.18902689 3.18902689 1 Tc Tc2 1 1.59451345 1.59451345 1.59451344 1 Y Y3 1 4.78354033 4.78354033 4.78354033 1 [/CIF]
BeReTcY
F-43m
216
cubic
-43m
9,805.703236
false
[CIF] data_LaTa2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.34657055 _cell_length_b 3.34657055 _cell_length_c 7.51927350 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaTa2V _chemical_formula_sum 'La1 Ta2 V1' _cell_volume 84.21236257 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.67328527 1.67328527 5.56625883 1 Ta Ta1 1 0.00000000 0.00000000 0.43801167 1 Ta Ta2 1 1.67328527 1.67328527 1.97636427 1 V V3 1 0.00000000 0.00000000 3.29827556 1 [/CIF]
LaTa2V
P4mm
99
tetragonal
4mm
10,879.554766
false
[CIF] data_SnGeIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43607559 _cell_length_b 4.43607559 _cell_length_c 5.33646632 _cell_angle_alpha 101.61762807 _cell_angle_beta 101.61762807 _cell_angle_gamma 40.82410045 _symmetry_Int_Tables_number 1 _chemical_formula_structural SnGeIr2 _chemical_formula_sum 'Sn1 Ge1 Ir2' _cell_volume 67.04888740 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Ir Ir1 1 1.22145236 -0.00000000 4.00443457 1 Ir Ir2 1 5.94695079 0.00000000 1.20738449 1 Sn Sn3 1 3.58420157 -0.00000000 2.60590953 1 [/CIF]
GeIr2Sn
C2/m
12
monoclinic
2/m
14,259.920827
false
[CIF] data_CeHgAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99438571 _cell_length_b 4.99438571 _cell_length_c 4.99438571 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeHgAu2 _chemical_formula_sum 'Ce1 Hg1 Au2' _cell_volume 88.09093890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 1.76578200 1.76578200 1.76578200 1 Au Au1 1 5.29734600 5.29734600 5.29734600 1 Ce Ce2 1 0.00000000 0.00000000 0.00000000 1 Hg Hg3 1 3.53156400 3.53156400 3.53156400 1 [/CIF]
Au2CeHg
Fm-3m
225
cubic
m-3m
13,848.155142
false
[CIF] data_BaHf2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42552415 _cell_length_b 5.42552415 _cell_length_c 7.09175429 _cell_angle_alpha 96.81671540 _cell_angle_beta 96.81671540 _cell_angle_gamma 35.53885947 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaHf2Tl _chemical_formula_sum 'Ba1 Hf2 Tl1' _cell_volume 120.39373302 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 7.63299599 -0.00000000 1.80907321 1 Hf Hf1 1 9.31889272 0.00000000 6.40275482 1 Hf Hf2 1 1.86301967 0.00000000 5.50690549 1 Tl Tl3 1 4.80872840 0.00000000 3.87239915 1 [/CIF]
BaHf2Tl
Cm
8
monoclinic
m
9,636.735315
false
[CIF] data_LaNb2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.95574024 _cell_length_b 10.95574024 _cell_length_c 10.95574024 _cell_angle_alpha 16.25317397 _cell_angle_beta 16.25317397 _cell_angle_gamma 16.25317397 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNb2In _chemical_formula_sum 'La1 Nb2 In1' _cell_volume 89.80666731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 La La1 1 -0.00000000 -0.00000000 16.21320572 1 Nb Nb2 1 0.00000000 -0.00000000 8.33797892 1 Nb Nb3 1 0.00000000 -0.00000000 24.08843251 1 [/CIF]
InLaNb2
R-3m
166
trigonal
-3m
8,127.092374
false
[CIF] data_InSn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.30344667 _cell_length_b 3.30344667 _cell_length_c 5.36268927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.05185015 _symmetry_Int_Tables_number 1 _chemical_formula_structural InSn _chemical_formula_sum 'In1 Sn1' _cell_volume 55.31612801 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Sn Sn1 1 1.91710416 0.00000000 2.68134463 1 [/CIF]
InSn
Cmmm
65
orthorhombic
mmm
7,010.294847
false
[CIF] data_MnBeSb2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08629790 _cell_length_b 3.08629790 _cell_length_c 7.81727363 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 91.09748818 _symmetry_Int_Tables_number 1 _chemical_formula_structural MnBeSb2 _chemical_formula_sum 'Mn1 Be1 Sb2' _cell_volume 74.44770650 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.30640867 1 Mn Mn1 1 2.16134126 0.00000000 2.47694466 1 Sb Sb2 1 0.00000000 0.00000000 0.77400155 1 Sb Sb3 1 2.16134126 0.00000000 5.16855556 1 [/CIF]
BeMnSb2
Cmm2
35
orthorhombic
mm2
6,858.053092
false
[CIF] data_Mg3AlRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.97355884 _cell_length_b 4.97355884 _cell_length_c 4.97355884 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg3AlRu _chemical_formula_sum 'Mg3 Al1 Ru1' _cell_volume 123.02738154 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 2.48677942 2.48677942 2.48677942 1 Mg Mg1 1 0.00000000 2.48677942 0.00000000 1 Mg Mg2 1 0.00000000 0.00000000 2.48677942 1 Mg Mg3 1 2.48677942 0.00000000 0.00000000 1 Al Al4 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
AlMg3Ru
Pm-3m
221
cubic
m-3m
2,712.508258
false
[CIF] data_GaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22607196 _cell_length_b 5.22607196 _cell_length_c 4.44368414 _cell_angle_alpha 95.11124317 _cell_angle_beta 95.11124317 _cell_angle_gamma 36.99289875 _symmetry_Int_Tables_number 1 _chemical_formula_structural GaAu _chemical_formula_sum 'Ga2 Au2' _cell_volume 72.70439497 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Au Au0 1 5.76483897 0.00000000 3.67796512 1 Au Au1 1 3.72993104 0.00000000 0.74606738 1 Ga Ga2 1 8.34698325 0.00000000 2.92077169 1 Ga Ga3 1 1.14778676 0.00000000 1.50326080 1 [/CIF]
Au2Ga2
C2/m
12
monoclinic
2/m
12,182.164453
false
[CIF] data_NbZnP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41870593 _cell_length_b 4.41870593 _cell_length_c 4.41870593 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NbZnP2 _chemical_formula_sum 'Nb1 Zn1 P2' _cell_volume 61.00568424 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.12449693 3.12449693 3.12449693 1 P P1 1 4.68674540 4.68674540 4.68674540 1 P P2 1 1.56224847 1.56224847 1.56224847 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 [/CIF]
NbP2Zn
Fm-3m
225
cubic
m-3m
5,994.638138
false
[CIF] data_Mg4Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39280189 _cell_length_b 5.39280189 _cell_length_c 5.39280189 _cell_angle_alpha 99.23897987 _cell_angle_beta 99.23897987 _cell_angle_gamma 132.75731938 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg4Ge _chemical_formula_sum 'Mg4 Ge1' _cell_volume 105.50563572 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 Mg Mg1 1 2.78147437 1.41629073 0.00000000 1 Mg Mg2 1 1.41629073 4.20609569 0.00000000 1 Mg Mg3 1 0.71231066 2.07749430 2.16084347 1 Mg Mg4 1 2.07749430 -0.71231066 2.16084347 1 [/CIF]
GeMg4
I4/m
87
tetragonal
4/m
2,673.403785
false
[CIF] data_NaZrTaAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.80548865 _cell_length_b 4.80548865 _cell_length_c 4.80548865 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaZrTaAu _chemical_formula_sum 'Na1 Zr1 Ta1 Au1' _cell_volume 78.46891890 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_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 3.39799361 3.39799361 3.39799361 1 Na Na1 1 0.00000000 0.00000000 0.00000000 1 Ta Ta2 1 1.69899680 1.69899681 1.69899680 1 Zr Zr3 1 5.09699041 5.09699041 5.09699041 1 [/CIF]
AuNaTaZr
F-43m
216
cubic
-43m
10,414.290699
false
[CIF] data_SmB _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73376995 _cell_length_b 6.73376995 _cell_length_c 3.59399797 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmB _chemical_formula_sum 'Sm3 B3' _cell_volume 141.13184176 _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 B B0 1 0.00000000 0.00000000 0.00000000 1 B B1 1 3.36688497 1.94387195 1.79699899 1 B B2 1 0.00000000 3.88774389 1.79699899 1 Sm Sm3 1 -1.68344249 2.91580792 0.00000000 1 Sm Sm4 1 1.68344249 2.91580792 0.00000000 1 Sm Sm5 1 3.36688497 0.00000000 0.00000000 1 [/CIF]
B3Sm3
P6/mmm
191
hexagonal
6/mmm
5,688.984642
false