data_[Pt4S8]
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 [P6_3mc]
_cell_length_a [3.5196]
_cell_length_b [3.5196]
_cell_length_c [19.8678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [PtS2]
_chemical_formula_sum '[Pt4 S8]'
_cell_volume [213.1460]
_cell_formula_units_Z [4]
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  2  0.3333  0.6667  0.6264  1
  Pt  Pt1  2  0.3333  0.6667  0.8705  1
  S  S2  2  0.0000  0.0000  0.0550  1
  S  S3  2  0.0000  0.0000  0.1956  1
  S  S4  2  0.3333  0.6667  0.2992  1
  S  S5  2  0.3333  0.6667  0.4395  1
]