data_[Pu6Al2Si6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Al  1.6100  1.2500  0.6750
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.9743]
_cell_length_b [4.0229]
_cell_length_c [18.2741]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [Pu3AlSi3]
_chemical_formula_sum '[Pu6 Al2 Si6]'
_cell_volume [292.1678]
_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  2  0.0000  0.0000  0.0066  1
  Pu  Pu1  2  0.0000  0.5000  0.3034  1
  Pu  Pu2  2  0.0000  0.5000  0.6916  1
  Al  Al3  2  0.0000  0.0000  0.4340  1
  Si  Si4  2  0.0000  0.0000  0.5665  1
  Si  Si5  2  0.0000  0.5000  0.1402  1
  Si  Si6  2  0.0000  0.5000  0.8578  1
]