data_[Pt4Br16Cl4]
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 [C2/c]
_cell_length_a [8.5282]
_cell_length_b [17.2507]
_cell_length_c [6.5641]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.9343]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [PtBr4Cl]
_chemical_formula_sum '[Pt4 Br16 Cl4]'
_cell_volume [845.1538]
_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  0.0542  0.2500  1
  Br  Br1  8  0.1882  0.0522  0.6845  1
  Br  Br2  8  0.1925  0.1612  0.2304  1
  Cl  Cl3  4  0.0000  0.3510  0.7500  1
]