data_[Pr24Cd4Ir12]
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 [Cmc2_1]
_cell_length_a [11.4901]
_cell_length_b [13.5448]
_cell_length_c [7.3449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pr6CdIr3]
_chemical_formula_sum '[Pr24 Cd4 Ir12]'
_cell_volume [1143.0980]
_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
[
  Pr  Pr0  8  0.1581  0.4712  0.8245  1.0
  Pr  Pr1  8  0.2156  0.2805  0.2182  1.0
  Pr  Pr2  4  0.0000  0.0607  0.3525  1.0
  Pr  Pr3  4  0.0000  0.2114  0.8859  1.0
  Cd  Cd4  4  0.0000  0.3269  0.5003  1.0
  Ir  Ir5  8  0.1750  0.0909  0.0366  1.0
  Ir  Ir6  4  0.0000  0.3862  0.1173  1.0
]