data_[Pu8Si12]
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
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0078]
_cell_length_b [24.8054]
_cell_length_c [3.9655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Pu2Si3]
_chemical_formula_sum '[Pu8 Si12]'
_cell_volume [394.2267]
_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  0.2931  0.7500  1
  Pu  Pu1  4  0.0000  0.4299  0.2500  1
  Si  Si2  4  0.0000  0.0242  0.2500  1
  Si  Si3  4  0.0000  0.1179  0.2500  1
  Si  Si4  4  0.0000  0.1702  0.7500  1
]