data_[Pu12Hg3Ge3Pd6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Hg  2.0000  1.5000  1.2450
  Ge  2.0100  1.2500  0.7700
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.0789]
_cell_length_b [5.0789]
_cell_length_c [25.0452]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu4HgGePd2]
_chemical_formula_sum '[Pu12 Hg3 Ge3 Pd6]'
_cell_volume [559.4990]
_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  6  0.0000  0.0000  0.1350  1
  Pu  Pu1  6  0.0000  0.0000  0.3842  1
  Hg  Hg2  3  0.0000  0.0000  0.0000  1
  Ge  Ge3  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd4  6  0.0000  0.0000  0.2643  1
]