data_[Pu12Al8Ni24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [8.8028]
_cell_length_b [8.8028]
_cell_length_c [8.8028]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Pu3(AlNi3)2]
_chemical_formula_sum '[Pu12 Al8 Ni24]'
_cell_volume [682.1113]
_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
[
  Pu  Pu0  12  0.0000  0.0000  0.2703  1
  Al  Al1  8  0.2500  0.2500  0.2500  1
  Ni  Ni2  24  0.0000  0.3447  0.6553  1
]