data_[Pr1Pu1H2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pu  1.2800  1.7500  0.9675
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.8061]
_cell_length_b [5.3924]
_cell_length_c [5.8689]
_cell_angle_alpha [92.7227]
_cell_angle_beta [108.3438]
_cell_angle_gamma [113.2000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PrPu(HO3)2]
_chemical_formula_sum '[Pr1 Pu1 H2 O6]'
_cell_volume [130.1075]
_cell_formula_units_Z [1]
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
[
  Pr  Pr0  1  0.3140  0.1890  0.5631  1
  Pu  Pu1  1  0.3795  0.6792  0.0622  1
  H  H2  1  0.7516  0.2456  0.2383  1
  H  H3  1  0.9131  0.1271  0.8750  1
  O  O4  1  0.2104  0.7686  0.2885  1
  O  O5  1  0.2334  0.8894  0.8460  1
  O  O6  1  0.5276  0.4621  0.2770  1
  O  O7  1  0.5803  0.6101  0.8516  1
  O  O8  1  0.8270  0.0995  0.2407  1
  O  O9  1  0.9399  0.2678  0.7728  1
]