data_[Pu1Ge1H2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Ge  2.0100  1.2500  0.7700
  H  2.2000  0.2500  0.0000
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.9623]
_cell_length_b [5.0335]
_cell_length_c [5.4664]
_cell_angle_alpha [62.8993]
_cell_angle_beta [89.6684]
_cell_angle_gamma [64.8669]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PuGe(HO3)2]
_chemical_formula_sum '[Pu1 Ge1 H2 O6]'
_cell_volume [107.0127]
_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
[
  Pu  Pu0  1  0.5000  0.0000  0.0000  1
  Ge  Ge1  1  0.0000  0.0000  0.5000  1
  H  H2  2  0.1081  0.4788  0.2960  1
  O  O3  2  0.0770  0.5416  0.7291  1
  O  O4  2  0.2365  0.8688  0.2599  1
  O  O5  2  0.3599  0.8861  0.7429  1
]