data_[In12Ir4Br4]
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 [P2_1/c]
_cell_length_a [8.4278]
_cell_length_b [6.8318]
_cell_length_c [10.5221]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9187]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [In3IrBr]
_chemical_formula_sum '[In12 Ir4 Br4]'
_cell_volume [496.7563]
_cell_formula_units_Z [4]
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  0.0029  0.6480  0.2219  1
  In  In1  4  0.2277  0.0027  0.1041  1
  In  In2  4  0.3576  0.0028  0.6630  1
  Ir  Ir3  4  0.0086  0.6785  0.9545  1
  Br  Br4  4  0.4406  0.2431  0.9806  1
]