data_image0
_chemical_formula_structural       As12Sr2Pt8
_chemical_formula_sum              "As12 Sr2 Pt8"
_cell_length_a       6.07258360033
_cell_length_b       6.07258359615
_cell_length_c       12.1519891163
_cell_angle_alpha    89.32578709
_cell_angle_beta     89.325787105
_cell_angle_gamma    88.149572364

_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
  As  As1       1.0  0.136498  0.096276  0.308431  1.0000
  As  As2       1.0  0.903724  0.863502  0.191569  1.0000
  As  As3       1.0  0.8635019999999999  0.9037239999999999  0.691569  1.0000
  As  As4       1.0  0.096276  0.136498  0.8084309999999999  1.0000
  As  As5       1.0  0.879222  0.62336  0.9436869999999999  1.0000
  As  As6       1.0  0.37664  0.12077799999999998  0.556313  1.0000
  As  As7       1.0  0.12077799999999998  0.37664  0.056313  1.0000
  As  As8       1.0  0.62336  0.8792219999999998  0.443687  1.0000
  As  As9       1.0  0.3845  0.876745  0.054957  1.0000
  As  As10      1.0  0.123255  0.6155  0.445043  1.0000
  As  As11      1.0  0.876745  0.3844999999999999  0.554957  1.0000
  As  As12      1.0  0.6155000000000002  0.123255  0.945043  1.0000
  Sr  Sr1       1.0  0.403924  0.596076  0.7499999999999999  1.0000
  Sr  Sr2       1.0  0.596076  0.403924  0.25  1.0000
  Pt  Pt1       1.0  0.923396  0.506098  0.749706  1.0000
  Pt  Pt2       1.0  0.49390199999999995  0.076604  0.7502939999999999  1.0000
  Pt  Pt3       1.0  0.5  0.5  0.5  1.0000
  Pt  Pt4       1.0  0.5  0.5  0.0  1.0000
  Pt  Pt5       1.0  0.0  0.0  0.5  1.0000
  Pt  Pt6       1.0  0.0  0.0  0.0  1.0000
  Pt  Pt7       1.0  0.506098  0.923396  0.24970599999999998  1.0000
  Pt  Pt8       1.0  0.076604  0.493902  0.250294  1.0000