data_[Pu12Si12Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5343]
_cell_length_b [4.2144]
_cell_length_c [13.6579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.6337]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3Si3Ru]
_chemical_formula_sum '[Pu12 Si12 Ru4]'
_cell_volume [559.6546]
_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  0.0404  0.5000  0.7769  1
  Pu  Pu1  4  0.1455  0.0000  0.6320  1
  Pu  Pu2  4  0.1835  0.5000  0.0839  1
  Si  Si3  4  0.0358  0.0000  0.9267  1
  Si  Si4  4  0.0888  0.5000  0.4557  1
  Si  Si5  4  0.1684  0.0000  0.2387  1
  Ru  Ru6  4  0.1723  0.0000  0.4195  1
]