data_[Pu2Cd6Pd2]
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
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.5102]
_cell_length_b [5.8275]
_cell_length_c [7.6216]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9030]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [PuCd3Pd]
_chemical_formula_sum '[Pu2 Cd6 Pd2]'
_cell_volume [227.0727]
_cell_formula_units_Z [2]
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  2  0.2976  0.2500  0.3888  1
  Cd  Cd1  4  0.2967  0.0025  0.8066  1
  Cd  Cd2  2  0.1579  0.7500  0.1061  1
  Pd  Pd3  2  0.1335  0.7500  0.4660  1
]