data_[Pu12U8Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  U  1.3800  1.7500  0.9913
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1118]
_cell_length_b [3.7182]
_cell_length_c [12.8051]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.3768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu3(USi)2]
_chemical_formula_sum '[Pu12 U8 Si8]'
_cell_volume [567.4374]
_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  0.1144  0.0000  0.1099  1
  Pu  Pu1  4  0.1286  0.5000  0.4618  1
  Pu  Pu2  4  0.2031  0.0000  0.8764  1
  U  U3  4  0.0751  0.5000  0.6393  1
  U  U4  4  0.0852  0.0000  0.3146  1
  Si  Si5  4  0.0541  0.5000  0.8964  1
  Si  Si6  4  0.2460  0.0000  0.6675  1
]