data_[Pt8Br4]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.1849]
_cell_length_b [3.0628]
_cell_length_c [7.4032]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0322]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pt2Br]
_chemical_formula_sum '[Pt8 Br4]'
_cell_volume [226.2319]
_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  0.0503  0.5000  0.2129  1
  Pt  Pt1  4  0.1766  0.0000  0.0515  1
  Br  Br2  4  0.1496  0.0000  0.5680  1
]