data_[Au4I2Br16]
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/m]
_cell_length_a [16.3029]
_cell_length_b [8.5156]
_cell_length_c [8.6894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6671]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Au2IBr8]
_chemical_formula_sum '[Au4 I2 Br16]'
_cell_volume [1205.0310]
_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  4  0.1425  0.0000  0.4059  1
  I  I1  2  0.0000  0.0000  0.0000  1
  Br  Br2  8  0.1288  0.2005  0.6212  1
  Br  Br3  4  0.1315  0.5000  0.5823  1
  Br  Br4  4  0.1577  0.0000  0.1235  1
]