data_[Au2I2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3685]
_cell_length_b [5.9845]
_cell_length_c [14.2042]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5862]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AuIBr4]
_chemical_formula_sum '[Au2 I2 Br8]'
_cell_volume [488.2672]
_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  0.0000  0.0000  0.0000  1.0
  I  I1  2  0.5000  0.0000  0.5000  1.0
  Br  Br2  4  0.1448  0.2130  0.8875  1.0
  Br  Br3  4  0.2878  0.1622  0.1650  1.0
]