data_[Cs6Pt2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pt  2.2800  1.3500  0.8050
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [8.4483]
_cell_length_b [9.8174]
_cell_length_c [5.8407]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Cs3PtS2]
_chemical_formula_sum '[Cs6 Pt2 S4]'
_cell_volume [484.4352]
_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
[
  Cs  Cs0  4  0.0782  0.2839  0.5000  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Pt  Pt2  2  0.0000  0.5000  0.0000  1.0
  S  S3  4  0.2439  0.9342  0.5000  1.0
]