data_[Pu6Si4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.6970]
_cell_length_b [4.2801]
_cell_length_c [8.2347]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2544]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(SiGe2)2]
_chemical_formula_sum '[Pu6 Si4 Ge8]'
_cell_volume [365.4117]
_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  0.1644  0.5000  0.6676  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  Si  Si2  4  0.1018  0.5000  0.2715  1
  Ge  Ge3  4  0.0693  0.0000  0.3953  1
  Ge  Ge4  4  0.2272  0.5000  0.0691  1
]