data_[Au8I24Br4]
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 [C2/c]
_cell_length_a [15.2378]
_cell_length_b [12.8738]
_cell_length_c [8.6671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Au2I6Br]
_chemical_formula_sum '[Au8 I24 Br4]'
_cell_volume [1694.1046]
_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  8  0.1863  0.4243  0.1315  1
  I  I1  8  0.0965  0.4735  0.4120  1
  I  I2  8  0.1415  0.1273  0.2515  1
  I  I3  8  0.2141  0.2264  0.7435  1
  Br  Br4  4  0.0000  0.0118  0.7500  1
]