data_[Pt2S2Br4]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.8603]
_cell_length_b [7.1536]
_cell_length_c [8.4003]
_cell_angle_alpha [103.0833]
_cell_angle_beta [102.7535]
_cell_angle_gamma [109.6231]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PtSBr2]
_chemical_formula_sum '[Pt2 S2 Br4]'
_cell_volume [253.5592]
_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  0.4972  0.7381  0.9997  1.0
  S  S1  2  0.4315  0.5278  0.1653  1.0
  Br  Br2  2  0.1520  0.3085  0.5899  1.0
  Br  Br3  2  0.4631  0.0452  0.2003  1.0
]