data_[In10Br18]
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 [Cmm2]
_cell_length_a [10.7657]
_cell_length_b [19.7371]
_cell_length_c [18.6402]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [In5Br9]
_chemical_formula_sum '[In10 Br18]'
_cell_volume [3960.7513]
_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  0.0000  0.1557  0.4189  1
  In  In1  4  0.2500  0.2500  0.5222  1
  In  In2  2  0.0000  0.0000  0.5782  1
  Br  Br3  8  0.1909  0.1328  0.5715  1
  Br  Br4  4  0.0000  0.2948  0.5280  1
  Br  Br5  4  0.2500  0.2500  0.3829  1
  Br  Br6  2  0.0000  0.0000  0.4257  1
]