data_[In8Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.5779]
_cell_length_b [6.5798]
_cell_length_c [13.0781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.4904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [InBr]
_chemical_formula_sum '[In8 Br8]'
_cell_volume [548.0344]
_cell_formula_units_Z [8]
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  8  0.1758  0.1299  0.1097  1.0
  Br  Br1  8  0.1983  0.3721  0.6483  1.0
]