data_[Pu8Ge12Ru20]
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 [Cmc2_1]
_cell_length_a [4.1917]
_cell_length_b [24.9653]
_cell_length_c [6.4126]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Pu2Ge3Ru5]
_chemical_formula_sum '[Pu8 Ge12 Ru20]'
_cell_volume [671.0565]
_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  0.0000  0.1736  0.2371  1
  Pu  Pu1  4  0.0000  0.4895  0.2546  1
  Ge  Ge2  4  0.0000  0.0542  0.4807  1
  Ge  Ge3  4  0.0000  0.2277  0.7348  1
  Ge  Ge4  4  0.0000  0.3896  0.4768  1
  Ru  Ru5  4  0.0000  0.0535  0.0825  1
  Ru  Ru6  4  0.0000  0.1293  0.7401  1
  Ru  Ru7  4  0.0000  0.2913  0.4406  1
  Ru  Ru8  4  0.0000  0.2953  0.0221  1
  Ru  Ru9  4  0.0000  0.3949  0.8955  1
]