data_[Ce20In8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  In  1.7800  1.5500  0.9400
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.2320]
_cell_length_b [8.8229]
_cell_length_c [6.7644]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(InIr)2]
_chemical_formula_sum '[Ce20 In8 Ir8]'
_cell_volume [968.7508]
_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
[
  Ce  Ce0  8  0.0441  0.2137  0.8326  1
  Ce  Ce1  8  0.1579  0.6073  0.5593  1
  Ce  Ce2  4  0.2500  0.2077  0.4513  1
  In  In3  8  0.0979  0.5477  0.0262  1
  Ir  Ir4  4  0.0000  0.0000  0.1320  1
  Ir  Ir5  4  0.2500  0.0065  0.7444  1
]