data_[Pt4S4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9969]
_cell_length_b [5.0987]
_cell_length_c [6.0170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.2472]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PtSO]
_chemical_formula_sum '[Pt4 S4 O4]'
_cell_volume [172.6084]
_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  4  0.2360  0.0096  0.2411  1
  S  S1  4  0.3567  0.6116  0.1369  1
  O  O2  4  0.1074  0.1488  0.8866  1
]