data_[Ce2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  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 [4.2022]
_cell_length_b [7.2181]
_cell_length_c [6.7325]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSO4]
_chemical_formula_sum '[Ce2 S2 O8]'
_cell_volume [203.8297]
_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
[
  Ce  Ce0  2  0.0326  0.7500  0.6517  1.0
  S  S1  2  0.1639  0.2500  0.8232  1.0
  O  O2  4  0.0398  0.0856  0.6845  1.0
  O  O3  2  0.0514  0.7500  0.0026  1.0
  O  O4  2  0.4685  0.2500  0.3487  1.0
]