data_[Ce24Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P4_2/n]
_cell_length_a [11.7737]
_cell_length_b [11.7737]
_cell_length_c [5.7609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [86]
_chemical_formula_structural [Ce3Ir]
_chemical_formula_sum '[Ce24 Ir8]'
_cell_volume [798.5773]
_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
[
  Ce  Ce0  8  0.0581  0.8633  0.7473  1
  Ce  Ce1  8  0.0843  0.3702  0.4494  1
  Ce  Ce2  8  0.1635  0.2914  0.0249  1
  Ir  Ir3  8  0.0766  0.8162  0.2473  1
]