data_[Pt1S4]
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 [P-1]
_cell_length_a [3.5886]
_cell_length_b [4.8838]
_cell_length_c [7.5284]
_cell_angle_alpha [92.4150]
_cell_angle_beta [90.9534]
_cell_angle_gamma [107.5809]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PtS4]
_chemical_formula_sum '[Pt1 S4]'
_cell_volume [125.6093]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.0000  1
  S  S1  2  0.3759  0.8524  0.5984  1
  S  S2  2  0.4547  0.8686  0.1804  1
]