data_image0
_chemical_formula_structural PtS18Sn9
_chemical_formula_sum "Pt1 S18 Sn9"
_cell_length_a 10.830760933920939
_cell_length_b 10.830760933920939
_cell_length_c 18.228362532809033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000000000001
_space_group_name_H-M_alt "P 1"
_space_group_IT_number 1
loop_
_space_group_symop_operation_xyz
'x, y, z'
loop_
_atom_site_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 Pt1 1.0 0.0686122137843188 0.2648232903928163 0.6769144929601659 1.0000
S S1 1.0 0.8887628658305655 0.7820159864058571 0.5889987077027574 1.0000
S S2 1.0 0.8906393449906572 0.4426218030855599 0.4083667191731856 1.0000
S S3 1.0 0.8846140207088637 0.4490575884973557 0.5866595217506553 1.0000
S S4 1.0 0.8924922619481752 0.1079124835743492 0.4142857426715742 1.0000
S S5 1.0 0.9088053281311539 0.1315293890418228 0.5944368136958375 1.0000
S S6 1.0 0.5543470167287572 0.7791944893651166 0.4090178148346718 1.0000
S S7 1.0 0.5588628136792028 0.7741456673776049 0.5893086150445781 1.0000
S S8 1.0 0.558360422671456 0.44595902467374826 0.4115315815183389 1.0000
S S9 1.0 0.8873645758385744 0.774145242748708 0.4115104994219313 1.0000
S S10 1.0 0.5505123132675175 0.1130517598936932 0.4103630568631675 1.0000
S S11 1.0 0.5523730177176441 0.44397766522307225 0.5888696174339925 1.0000
S S12 1.0 0.2209329546653379 0.78321746630846 0.4101828589460114 1.0000
S S13 1.0 0.22073858813081046 0.7791903110940062 0.5888406666055972 1.0000
S S14 1.0 0.2251179575400404 0.44076186570891 0.4143110052893464 1.0000
S S15 1.0 0.2021546652835516 0.4247885884745418 0.5944921746426793 1.0000
S S16 1.0 0.21976428958175123 0.11324899023527919 0.411115006885244 1.0000
S S17 1.0 0.2238938737200893 0.1104063057639813 0.5901788186712801 1.0000
S S18 1.0 0.5537740882792543 0.11193288150032199 0.5888578229197576 1.0000
Sn Sn1 1.0 0.3340446666926969 0.3296257509727609 0.50024517062413 1.0000
Sn Sn2 1.0 0.3323101427025242 0.0006458429655918 0.5008894425306993 1.0000
Sn Sn3 1.0 0.3364506529556404 0.6749302808403195 0.4960899435642049 1.0000
Sn Sn4 1.0 0.00048214584763049147 0.6682643088022047 0.4999283020952263 1.0000
Sn Sn5 1.0 0.6583241401187503 0.9968892678981806 0.4964316010369936 1.0000
Sn Sn6 1.0 0.6647555526266299 0.3326206040966833 0.4999063082640862 1.0000
Sn Sn7 1.0 0.9974800078912192 0.3359614674896625 0.4939751331891367 1.0000
Sn Sn8 1.0 0.6658603891680175 0.6674374849556013 0.500497414073328 1.0000
Sn Sn9 1.0 0.0037252450547171994 0.999421970391588 0.5001237267832891 1.0000