data_[Ce16Ir4]
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 [Cc]
_cell_length_a [7.0502]
_cell_length_b [12.2583]
_cell_length_c [6.9528]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2301]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ce4Ir]
_chemical_formula_sum '[Ce16 Ir4]'
_cell_volume [524.3750]
_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  4  0.1741  0.2807  0.7206  1
  Ce  Ce1  4  0.2240  0.2637  0.3340  1
  Ce  Ce2  4  0.4224  0.4986  0.6460  1
  Ce  Ce3  4  0.4962  0.0412  0.7875  1
  Ir  Ir4  4  0.2140  0.1192  0.0119  1
]