data_[Pr12Pu4Ir12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.3072]
_cell_length_b [9.0891]
_cell_length_c [7.1692]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3285]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3PuIr3]
_chemical_formula_sum '[Pr12 Pu4 Ir12]'
_cell_volume [716.9503]
_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  4  0.0000  0.2008  0.5000  1
  Pr  Pr1  4  0.0000  0.2900  0.0000  1
  Pr  Pr2  4  0.2154  0.5000  0.4922  1
  Pu  Pu3  4  0.2070  0.0000  0.9617  1
  Ir  Ir4  8  0.2449  0.2547  0.7825  1
  Ir  Ir5  4  0.0514  0.0000  0.2128  1
]