data_[Ba4Pu2N4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Immm]
_cell_length_a [3.5860]
_cell_length_b [6.1888]
_cell_length_c [11.3921]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba2Pu(NO)2]
_chemical_formula_sum '[Ba4 Pu2 N4 O4]'
_cell_volume [252.8223]
_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
[
  Ba  Ba0  4  0.0000  0.5000  0.1568  1
  Pu  Pu1  2  0.0000  0.0000  0.0000  1
  N  N2  4  0.0000  0.0000  0.1655  1
  O  O3  4  0.0000  0.2499  0.5000  1
]