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 [Cm]
_cell_length_a [13.4940]
_cell_length_b [2.9747]
_cell_length_c [6.9037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.0579]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Pt2Br]
_chemical_formula_sum '[Pt8 Br4]'
_cell_volume [239.8515]
_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  0.0680  0.0000  0.4990  1
  Pt  Pt1  2  0.2628  0.5000  0.5735  1
  Pt  Pt2  2  0.3176  0.0000  0.9944  1
  Pt  Pt3  2  0.3820  0.0000  0.4429  1
  Br  Br4  2  0.1427  0.5000  0.8951  1
  Br  Br5  2  0.4936  0.5000  0.0951  1
]