data_[Pu16N12O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  N  3.0400  0.6500  0.6300
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.9831]
_cell_length_b [7.9064]
_cell_length_c [6.5589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3170]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pu4N3O2]
_chemical_formula_sum '[Pu16 N12 O8]'
_cell_volume [569.5409]
_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  8  0.1146  0.1428  0.3984  1
  Pu  Pu1  8  0.1301  0.3946  0.9434  1
  N  N2  8  0.1402  0.1083  0.0567  1
  N  N3  4  0.0000  0.3994  0.2500  1
  O  O4  8  0.1805  0.3600  0.6086  1
]