data_[Pu8Th2H20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pu  1.2800  1.7500  0.9675
  Th  1.3000  1.8000  1.0800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7357]
_cell_length_b [3.7357]
_cell_length_c [26.9266]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Pu4ThH10]
_chemical_formula_sum '[Pu8 Th2 H20]'
_cell_volume [375.7796]
_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  4  0.0000  0.0000  0.2008  1
  Pu  Pu1  4  0.0000  0.0000  0.3975  1
  Th  Th2  2  0.0000  0.0000  0.0000  1
  H  H3  8  0.0000  0.5000  0.0520  1
  H  H4  8  0.0000  0.5000  0.1514  1
  H  H5  4  0.0000  0.5000  0.2500  1
]