data_[Ce20Ir8]
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 [C2/c]
_cell_length_a [16.6799]
_cell_length_b [6.2853]
_cell_length_c [7.1412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Ce5Ir2]
_chemical_formula_sum '[Ce20 Ir8]'
_cell_volume [741.6274]
_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  0.0933  0.1189  0.9278  1.0
  Ce  Ce1  8  0.2211  0.3968  0.3396  1.0
  Ce  Ce2  4  0.0000  0.3915  0.2500  1.0
  Ir  Ir3  8  0.1064  0.3193  0.5942  1.0
]