data_[Ce8Pr12Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.6928]
_cell_length_b [12.1718]
_cell_length_c [14.3216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ce2(PrIr)3]
_chemical_formula_sum '[Ce8 Pr12 Ir12]'
_cell_volume [818.0457]
_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  0.0000  0.2380  0.0942  1.0
  Pr  Pr1  8  0.0000  0.0548  0.6169  1.0
  Pr  Pr2  4  0.0000  0.3771  0.7500  1.0
  Ir  Ir3  8  0.0000  0.3908  0.5395  1.0
  Ir  Ir4  4  0.0000  0.3677  0.2500  1.0
]