data_[Pu8Ni4O44]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.7650]
_cell_length_b [9.9525]
_cell_length_c [10.5061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pu2NiO11]
_chemical_formula_sum '[Pu8 Ni4 O44]'
_cell_volume [916.4838]
_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  0.1805  0.2705  0.5000  1
  Ni  Ni1  4  0.0000  0.5000  0.2500  1
  O  O2  16  0.1012  0.3854  0.3747  1
  O  O3  16  0.2469  0.3397  0.1236  1
  O  O4  8  0.0575  0.1482  0.0000  1
  O  O5  4  0.0000  0.0000  0.0000  1
]