data_[Ga1Au1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ga  1.8100  1.3000  0.7600
  Au  2.5400  1.3500  1.0700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.9963]
_cell_length_b [7.1781]
_cell_length_c [7.6130]
_cell_angle_alpha [64.8206]
_cell_angle_beta [74.9123]
_cell_angle_gamma [86.2076]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [GaAuBr6]
_chemical_formula_sum '[Ga1 Au1 Br6]'
_cell_volume [285.9463]
_cell_formula_units_Z [1]
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
[
  Ga  Ga0  1  0.0000  0.0000  0.0000  1.0
  Au  Au1  1  0.5000  0.5000  0.0000  1.0
  Br  Br2  2  0.0696  0.8322  0.3180  1.0
  Br  Br3  2  0.2756  0.3610  0.8425  1.0
  Br  Br4  2  0.3661  0.8445  0.8058  1.0
]