data_[Ba2Pu1H1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [5.7002]
_cell_length_b [6.0588]
_cell_length_c [6.4365]
_cell_angle_alpha [92.6802]
_cell_angle_beta [116.0261]
_cell_angle_gamma [115.4913]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2PuHO6]
_chemical_formula_sum '[Ba2 Pu1 H1 O6]'
_cell_volume [172.5315]
_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
[
  Ba  Ba0  1  0.5111  0.7396  0.2698  1
  Ba  Ba1  1  0.5418  0.3003  0.7664  1
  Pu  Pu2  1  0.0228  0.0176  0.0129  1
  H  H3  1  0.6790  0.2880  0.3142  1
  O  O4  1  0.1080  0.3088  0.8764  1
  O  O5  1  0.1902  0.8951  0.8678  1
  O  O6  1  0.5143  0.2693  0.3401  1
  O  O7  1  0.6065  0.8000  0.7142  1
  O  O8  1  0.8826  0.1581  0.1830  1
  O  O9  1  0.9457  0.7293  0.1563  1
]