data_[Au8Br4]
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 [C2/m]
_cell_length_a [18.1510]
_cell_length_b [3.9730]
_cell_length_c [4.3755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1676]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Au2Br]
_chemical_formula_sum '[Au8 Br4]'
_cell_volume [310.5792]
_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  0.0546  0.5000  0.7611  1.0
  Au  Au1  4  0.0620  0.0000  0.2998  1.0
  Br  Br2  4  0.1699  0.5000  0.2037  1.0
]