data_[Pu4Zn2O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Zn  1.6500  1.3500  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6668]
_cell_length_b [7.9637]
_cell_length_c [8.4595]
_cell_angle_alpha [68.0939]
_cell_angle_beta [68.0382]
_cell_angle_gamma [82.0927]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Pu2ZnO11]
_chemical_formula_sum '[Pu4 Zn2 O22]'
_cell_volume [444.4372]
_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  1  0.2063  0.8289  0.3032  1
  Pu  Pu1  1  0.2780  0.6997  0.7823  1
  Pu  Pu2  1  0.6608  0.3001  0.1984  1
  Pu  Pu3  1  0.8047  0.2246  0.7184  1
  Zn  Zn4  1  0.1482  0.3218  0.2299  1
  Zn  Zn5  1  0.7925  0.7134  0.7474  1
  O  O6  1  0.0273  0.6604  0.8213  1
  O  O7  1  0.0619  0.0324  0.9585  1
  O  O8  1  0.0905  0.0856  0.7799  1
  O  O9  1  0.1489  0.8696  0.0153  1
  O  O10  1  0.1827  0.5851  0.3754  1
  O  O11  1  0.2147  0.0809  0.2000  1
  O  O12  1  0.2522  0.5402  0.0197  1
  O  O13  1  0.3068  0.8356  0.5395  1
  O  O14  1  0.3985  0.2938  0.2842  1
  O  O15  1  0.4150  0.4233  0.7215  1
  O  O16  1  0.4523  0.8177  0.1715  1
  O  O17  1  0.4596  0.4418  0.5457  1
  O  O18  1  0.5285  0.7466  0.7379  1
  O  O19  1  0.6196  0.3468  0.4896  1
  O  O20  1  0.6604  0.5312  0.0340  1
  O  O21  1  0.6675  0.1944  0.9635  1
  O  O22  1  0.6699  0.0651  0.3335  1
  O  O23  1  0.7575  0.9859  0.7600  1
  O  O24  1  0.8428  0.4637  0.6817  1
  O  O25  1  0.9189  0.3232  0.1397  1
  O  O26  1  0.9646  0.8365  0.4674  1
  O  O27  1  0.9695  0.2519  0.4804  1
]