data_[Pt2S2O12]
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 [C2/m]
_cell_length_a [8.2595]
_cell_length_b [5.0680]
_cell_length_c [4.7242]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2469]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [PtSO6]
_chemical_formula_sum '[Pt2 S2 O12]'
_cell_volume [163.4644]
_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
[
  Pt  Pt0  2  0.0000  0.5000  0.5000  1
  S  S1  2  0.0000  0.0000  0.0000  1
  O  O2  8  0.0805  0.2287  0.3016  1
  O  O3  4  0.2211  0.0000  0.0676  1
]