data_[Pu2Cu2Ni2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8465]
_cell_length_b [4.8465]
_cell_length_c [8.9678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [PuCuNiO6]
_chemical_formula_sum '[Pu2 Cu2 Ni2 O12]'
_cell_volume [210.6382]
_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  2  0.0000  0.0000  0.9992  1
  Cu  Cu1  2  0.0000  0.0000  0.3354  1
  Ni  Ni2  2  0.0000  0.0000  0.6639  1
  O  O3  4  0.1877  0.8123  0.8367  1
  O  O4  4  0.1883  0.8117  0.4940  1
  O  O5  4  0.1885  0.8115  0.1701  1
]