data_[Pu6Ge8Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.8114]
_cell_length_b [4.3936]
_cell_length_c [8.4209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1821]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(Ge2Pd)2]
_chemical_formula_sum '[Pu6 Ge8 Pd4]'
_cell_volume [370.3959]
_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  0.1248  0.5000  0.6841  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  4  0.0857  0.0000  0.4020  1
  Ge  Ge3  4  0.2179  0.5000  0.0646  1
  Pd  Pd4  4  0.1749  0.5000  0.3378  1
]