data_[Sm1Pu1H2O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  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 [P-1]
_cell_length_a [5.1960]
_cell_length_b [5.4209]
_cell_length_c [5.9731]
_cell_angle_alpha [63.7310]
_cell_angle_beta [67.8219]
_cell_angle_gamma [64.3774]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmPu(HO3)2]
_chemical_formula_sum '[Sm1 Pu1 H2 O6]'
_cell_volume [132.3821]
_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
[
  Sm  Sm0  1  0.5000  0.5000  0.5000  1
  Pu  Pu1  1  0.0000  0.0000  0.0000  1
  H  H2  2  0.4154  0.2273  0.2205  1
  O  O3  2  0.0936  0.3501  0.7809  1
  O  O4  2  0.2252  0.9276  0.2256  1
  O  O5  2  0.4127  0.7583  0.7605  1
]