data_[Pt4Br4Cl4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [4.1920]
_cell_length_b [16.1437]
_cell_length_c [19.2891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [PtBrCl]
_chemical_formula_sum '[Pt4 Br4 Cl4]'
_cell_volume [1305.3739]
_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  2  0.1657  0.2066  0.4262  1
  Pt  Pt1  2  0.6657  0.2934  0.4262  1
  Br  Br2  2  0.1656  0.3853  0.4261  1
  Br  Br3  2  0.6657  0.1147  0.4262  1
  Cl  Cl4  2  0.0891  0.2286  0.6469  1
  Cl  Cl5  2  0.6264  0.2709  0.6484  1
]