data_[Pu8Ge8Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5994]
_cell_length_b [4.3553]
_cell_length_c [10.4403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8855]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2Ge2Ru]
_chemical_formula_sum '[Pu8 Ge8 Ru4]'
_cell_volume [417.8666]
_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  4  0.0898  0.0000  0.9042  1
  Pu  Pu1  4  0.1722  0.5000  0.6799  1
  Ge  Ge2  4  0.0743  0.0000  0.4247  1
  Ge  Ge3  4  0.1286  0.5000  0.1266  1
  Ru  Ru4  4  0.1592  0.5000  0.3845  1
]