data_[Pu8Pd2Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Pd  2.2000  1.4000  0.8462
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.9960]
_cell_length_b [7.4560]
_cell_length_c [5.4136]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.6161]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu4PdRu2]
_chemical_formula_sum '[Pu8 Pd2 Ru4]'
_cell_volume [319.9013]
_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  4  0.0000  0.2050  0.5000  1
  Pu  Pu1  4  0.2500  0.2500  0.0000  1
  Ru  Ru2  4  0.0831  0.5000  0.2461  1
  Pd  Pd3  2  0.0000  0.0000  0.0000  1
]