data_[Pu3Ni6H24Pd3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [4.5813]
_cell_length_b [4.5813]
_cell_length_c [15.9844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [PuNi2H8Pd]
_chemical_formula_sum '[Pu3 Ni6 H24 Pd3]'
_cell_volume [290.5440]
_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  3  -0.0000  0.0000  0.5000  1
  Ni  Ni1  6  0.0000  0.0000  0.2941  1
  H  H2  18  0.0027  0.7077  0.6180  1
  H  H3  6  0.0000  0.0000  0.1938  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
]