data_[In2Ir2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [6.7355]
_cell_length_b [11.6389]
_cell_length_c [6.9300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2003]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [InIrBr6]
_chemical_formula_sum '[In2 Ir2 Br12]'
_cell_volume [513.0508]
_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  2  0.0000  0.1666  0.0000  1
  Ir  Ir1  2  0.0000  0.8331  0.0000  1
  Br  Br2  4  0.2197  0.9867  0.2249  1
  Br  Br3  4  0.2283  0.8298  0.7787  1
  Br  Br4  4  0.2324  0.6837  0.2231  1
]