data_[Pu4Ni2O14]
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 [C2/m]
_cell_length_a [9.7073]
_cell_length_b [3.3750]
_cell_length_c [9.0185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6283]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pu2NiO7]
_chemical_formula_sum '[Pu4 Ni2 O14]'
_cell_volume [295.1531]
_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
[
  Pu  Pu0  4  0.0682  0.0000  0.7889  1
  Ni  Ni1  2  0.0000  0.5000  0.5000  1
  O  O2  4  0.0557  0.5000  0.2776  1
  O  O3  4  0.1172  0.0000  0.5785  1
  O  O4  4  0.1869  0.5000  0.8394  1
  O  O5  2  0.0000  0.0000  0.0000  1
]