data_[Au4Br8]
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 [P2_1/c]
_cell_length_a [6.7532]
_cell_length_b [9.3266]
_cell_length_c [7.3829]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6945]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuBr2]
_chemical_formula_sum '[Au4 Br8]'
_cell_volume [437.8076]
_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
[
  Au  Au0  4  0.2437  0.6316  0.0644  1.0
  Br  Br1  4  0.0010  0.0126  0.2696  1.0
  Br  Br2  4  0.4592  0.7376  0.8715  1.0
]