data_[Pu12N8O4]
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 [Pnma]
_cell_length_a [6.9942]
_cell_length_b [4.9526]
_cell_length_c [10.4943]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Pu3N2O]
_chemical_formula_sum '[Pu12 N8 O4]'
_cell_volume [363.5185]
_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  0.1240  0.2500  0.4159  1
  Pu  Pu1  4  0.1246  0.2500  0.7500  1
  Pu  Pu2  4  0.1273  0.2500  0.0850  1
  N  N3  4  0.1255  0.7500  0.7467  1
  N  N4  4  0.1265  0.7500  0.4173  1
  O  O5  4  0.1257  0.7500  0.0868  1
]