data_[Pu96H40Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Ia-3d]
_cell_length_a [13.9144]
_cell_length_b [13.9144]
_cell_length_c [13.9144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [230]
_chemical_formula_structural [Pu12H5Pd3]
_chemical_formula_sum '[Pu96 H40 Pd24]'
_cell_volume [2693.9616]
_cell_formula_units_Z [8]
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  96  0.0371  0.1228  0.9303  1
  Pd  Pd1  24  0.0000  0.2500  0.1250  1
  H  H2  24  0.0000  0.2500  0.3750  1
  H  H3  16  0.0000  0.0000  0.0000  1
]