data_[Pu4Nb4Al16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [F-43m]
_cell_length_a [7.5622]
_cell_length_b [7.5622]
_cell_length_c [7.5622]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [216]
_chemical_formula_structural [PuNbAl4]
_chemical_formula_sum '[Pu4 Nb4 Al16]'
_cell_volume [432.4591]
_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  4  0.2500  0.2500  0.2500  1
  Nb  Nb1  4  0.0000  0.0000  0.0000  1
  Al  Al2  16  0.1251  0.3749  0.8749  1
]