data_[Pu12Co6Si36Ru6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Co  1.8800  1.3500  0.7683
  Si  1.9000  1.1000  0.5400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.7885]
_cell_length_b [5.7885]
_cell_length_c [35.5269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pu2CoSi6Ru]
_chemical_formula_sum '[Pu12 Co6 Si36 Ru6]'
_cell_volume [1030.8921]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1253  1
  Pu  Pu1  6  0.0000  0.0000  0.2815  1
  Co  Co2  3  -0.0000  -0.0000  0.5000  1
  Co  Co3  3  0.0000  0.0000  0.0000  1
  Si  Si4  18  0.0553  0.5277  0.7175  1
  Si  Si5  18  0.0587  0.5294  0.8696  1
  Ru  Ru6  6  0.0000  0.0000  0.4228  1
]