data_[In4Au2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  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 [13.2273]
_cell_length_b [9.4121]
_cell_length_c [7.6882]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8624]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [In2AuBr8]
_chemical_formula_sum '[In4 Au2 Br16]'
_cell_volume [954.9784]
_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
[
  In  In0  4  0.2257  0.0000  0.3237  1.0
  Au  Au1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1130  0.1951  0.1566  1.0
  Br  Br3  4  0.0971  0.5000  0.7614  1.0
  Br  Br4  4  0.1970  0.0000  0.6420  1.0
]