data_[Pt4Br8Cl4]
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 [I-42d]
_cell_length_a [9.2699]
_cell_length_b [9.2699]
_cell_length_c [5.0055]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [122]
_chemical_formula_structural [PtBr2Cl]
_chemical_formula_sum '[Pt4 Br8 Cl4]'
_cell_volume [430.1262]
_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  0.0000  0.0000  0.0000  1
  Br  Br1  8  0.1059  0.2500  0.1250  1
  Cl  Cl2  4  0.0000  0.0000  0.5000  1
]