data_[Pu12Ge4Ru2]
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 [P2_1/c]
_cell_length_a [4.9344]
_cell_length_b [8.5224]
_cell_length_c [9.9105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.1434]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pu6Ge2Ru]
_chemical_formula_sum '[Pu12 Ge4 Ru2]'
_cell_volume [364.0049]
_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  0.0931  0.6523  0.0953  1
  Pu  Pu1  4  0.1182  0.0194  0.1551  1
  Pu  Pu2  4  0.3357  0.6862  0.3811  1
  Ge  Ge3  4  0.3021  0.1613  0.7676  1
  Ru  Ru4  2  0.5000  0.0000  0.5000  1
]