data_[Pr8Pu4Ir8]
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/c]
_cell_length_a [10.5329]
_cell_length_b [6.0090]
_cell_length_c [8.0109]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.2992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2PuIr2]
_chemical_formula_sum '[Pr8 Pu4 Ir8]'
_cell_volume [495.3923]
_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  0.1492  0.3663  0.6484  1
  Pu  Pu1  4  0.0000  0.1268  0.2500  1
  Ir  Ir2  8  0.1399  0.1392  0.0042  1
]