data_[Ce20Cd8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [16.3158]
_cell_length_b [8.6764]
_cell_length_c [6.6891]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ce5(CdIr)2]
_chemical_formula_sum '[Ce20 Cd8 Ir8]'
_cell_volume [946.9185]
_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  0.0464  0.7136  0.6679  1
  Ce  Ce1  8  0.1609  0.1072  0.9349  1
  Ce  Ce2  4  0.2500  0.7100  0.0529  1
  Cd  Cd3  8  0.0962  0.0496  0.4733  1
  Ir  Ir4  4  0.0000  0.0000  0.8665  1
  Ir  Ir5  4  0.2500  0.0048  0.2642  1
]