data_[Th2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Th  1.3000  1.8000  1.0800
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9990]
_cell_length_b [6.5712]
_cell_length_c [6.7166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ThSO4]
_chemical_formula_sum '[Th2 S2 O8]'
_cell_volume [176.3941]
_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
[
  Th  Th0  2  0.2524  0.7500  0.4643  1
  S  S1  2  0.2019  0.2500  0.9848  1
  O  O2  4  0.2588  0.0500  0.6309  1
  O  O3  2  0.1581  0.7500  0.0743  1
  O  O4  2  0.2426  0.2500  0.2036  1
]