data_[P4Pt2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.8433]
_cell_length_b [10.1175]
_cell_length_c [7.4413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8159]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [P2PtS6]
_chemical_formula_sum '[P4 Pt2 S12]'
_cell_volume [425.3033]
_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
[
  P  P0  4  0.0494  0.0001  0.1512  1.0
  Pt  Pt1  2  0.0000  0.6667  0.0000  1.0
  S  S2  4  0.2256  0.8258  0.2210  1.0
  S  S3  4  0.2337  0.5102  0.2208  1.0
  S  S4  4  0.2432  0.6639  0.7788  1.0
]