data_[Pu4Ge2Pd12]
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 [9.7970]
_cell_length_b [5.6977]
_cell_length_c [6.1612]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0678]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2GePd6]
_chemical_formula_sum '[Pu4 Ge2 Pd12]'
_cell_volume [333.6073]
_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  0.1444  0.5000  0.8474  1
  Ge  Ge1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  8  0.1314  0.2581  0.3172  1
  Pd  Pd3  4  0.1260  0.0000  0.6985  1
]