data_[Pu24Cd3Ir18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cd  1.6900  1.5500  1.0900
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [8.3677]
_cell_length_b [8.3677]
_cell_length_c [17.2608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Pu8CdIr6]
_chemical_formula_sum '[Pu24 Cd3 Ir18]'
_cell_volume [1046.6690]
_cell_formula_units_Z [3]
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
[
  Pu  Pu0  18  0.0115  0.7000  0.1102  1
  Pu  Pu1  6  0.0000  0.0000  0.3272  1
  Cd  Cd2  3  0.0000  0.0000  0.0000  1
  Ir  Ir3  18  0.0033  0.6544  0.9416  1
]