data_[Pt2Au2Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pt  2.2800  1.3500  0.8050
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7931]
_cell_length_b [3.8103]
_cell_length_c [6.7953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3820]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [PtAuBr2]
_chemical_formula_sum '[Pt2 Au2 Br4]'
_cell_volume [239.1935]
_cell_formula_units_Z [2]
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  0.0641  0.5000  0.4100  1
  Au  Au1  2  0.2942  0.5000  0.2995  1
  Br  Br2  2  0.1597  0.0000  0.6693  1
  Br  Br3  2  0.4820  0.5000  0.1213  1
]