data_[Cs2H2S2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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/m]
_cell_length_a [5.6321]
_cell_length_b [5.9623]
_cell_length_c [7.3107]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5329]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsHSO4]
_chemical_formula_sum '[Cs2 H2 S2 O8]'
_cell_volume [241.3565]
_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
[
  Cs  Cs0  2  0.0089  0.2500  0.7141  1.0
  H  H1  2  0.5000  0.0000  0.0000  1.0
  S  S2  2  0.4416  0.2500  0.2351  1.0
  O  O3  4  0.3698  0.0439  0.1099  1.0
  O  O4  2  0.2922  0.2500  0.3779  1.0
  O  O5  2  0.2971  0.7500  0.6987  1.0
]