data_[Pt8S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P4_2/m]
_cell_length_a [6.4994]
_cell_length_b [6.4994]
_cell_length_c [6.6625]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [84]
_chemical_formula_structural [PtS]
_chemical_formula_sum '[Pt8 S8]'
_cell_volume [281.4367]
_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
[
  Pt  Pt0  4  0.2565  0.4707  0.0000  1.0
  Pt  Pt1  2  0.0000  0.0000  0.2500  1.0
  Pt  Pt2  2  0.0000  0.5000  0.5000  1.0
  S  S3  8  0.1932  0.6924  0.2733  1.0
]