data_[Au2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [6.8892]
_cell_length_b [6.9708]
_cell_length_c [7.0250]
_cell_angle_alpha [75.6910]
_cell_angle_beta [88.3581]
_cell_angle_gamma [70.8507]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [AuBr3]
_chemical_formula_sum '[Au2 Br6]'
_cell_volume [308.3033]
_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
[
  Au  Au0  2  0.0235  0.6574  0.1705  1.0
  Br  Br1  2  0.2008  0.0277  0.7434  1.0
  Br  Br2  2  0.2460  0.3302  0.0768  1.0
  Br  Br3  2  0.2911  0.6332  0.4078  1.0
]