data_[Pu12Si8Os4]
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
  Os  2.2000  1.3000  0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.3067]
_cell_length_b [4.4604]
_cell_length_c [8.9445]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pu3Si2Os]
_chemical_formula_sum '[Pu12 Si8 Os4]'
_cell_volume [451.0903]
_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  0.0521  0.2500  0.3990  1
  Pu  Pu1  4  0.1725  0.7500  0.8732  1
  Pu  Pu2  4  0.2365  0.2500  0.7322  1
  Si  Si3  4  0.0140  0.7500  0.1769  1
  Si  Si4  4  0.2026  0.7500  0.5381  1
  Os  Os5  4  0.0808  0.2500  0.0708  1
]