data_[In6Ir2Br2]
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/m]
_cell_length_a [5.2593]
_cell_length_b [8.2470]
_cell_length_c [6.3104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.0464]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [In3IrBr]
_chemical_formula_sum '[In6 Ir2 Br2]'
_cell_volume [261.6810]
_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  0.0100  0.5241  0.7291  1
  In  In1  2  0.4268  0.2500  0.0243  1
  Ir  Ir2  2  0.0956  0.7500  0.0465  1
  Br  Br3  2  0.4675  0.7500  0.4515  1
]