data_[Ga6Au9Br9]
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 [R-3m]
_cell_length_a [7.6811]
_cell_length_b [7.6811]
_cell_length_c [15.0758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ga2(AuBr)3]
_chemical_formula_sum '[Ga6 Au9 Br9]'
_cell_volume [770.2985]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.2443  1
  Au  Au1  6  0.0000  0.0000  0.0859  1
  Au  Au2  3  -0.0000  -0.0000  0.5000  1
  Br  Br3  9  0.0000  0.5000  0.0000  1
]