data_[In24Ir8Cl8]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [10.8568]
_cell_length_b [15.7536]
_cell_length_c [5.5783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [In3IrCl]
_chemical_formula_sum '[In24 Ir8 Cl8]'
_cell_volume [954.0754]
_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  0.0000  0.1477  0.2329  1
  In  In1  8  0.2076  0.0000  0.5000  1
  In  In2  8  0.2500  0.1857  0.7500  1
  Ir  Ir3  8  0.2500  0.1434  0.2500  1
  Cl  Cl4  8  0.0000  0.0707  0.7513  1
]