data_[Pr24Cd8Ir8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.9341]
_cell_length_b [10.1105]
_cell_length_c [16.4270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Pr3CdIr]
_chemical_formula_sum '[Pr24 Cd8 Ir8]'
_cell_volume [1151.6555]
_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
[
  Pr  Pr0  16  0.0000  0.1917  0.3906  1.0
  Pr  Pr1  8  0.0000  0.0000  0.2021  1.0
  Cd  Cd2  8  0.2015  0.0000  0.0000  1.0
  Ir  Ir3  8  0.2500  0.2500  0.2500  1.0
]