data_[Ce4H4S4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  H  2.2000  0.2500  0.0000
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [4.4968]
_cell_length_b [12.5079]
_cell_length_c [7.0838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.1746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeHSO5]
_chemical_formula_sum '[Ce4 H4 S4 O20]'
_cell_volume [371.5291]
_cell_formula_units_Z [4]
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  4  0.3365  0.0652  0.6984  1
  H  H1  4  0.2895  0.6589  0.0265  1
  S  S2  4  0.0983  0.1456  0.1151  1
  O  O3  4  0.0303  0.0951  0.2848  1
  O  O4  4  0.1945  0.6695  0.5568  1
  O  O5  4  0.2628  0.5890  0.9588  1
  O  O6  4  0.2855  0.2433  0.1882  1
  O  O7  4  0.2989  0.0679  0.0490  1
]