data_[Pu16Ge12]
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
]
_symmetry_space_group_name_H-M [I-43d]
_cell_length_a [8.7139]
_cell_length_b [8.7139]
_cell_length_c [8.7139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [220]
_chemical_formula_structural [Pu4Ge3]
_chemical_formula_sum '[Pu16 Ge12]'
_cell_volume [661.6589]
_cell_formula_units_Z [4]
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  16  0.0782  0.4218  0.5782  1
  Ge  Ge1  12  0.0000  0.2500  0.8750  1
]