data_[Cs1H6S2O2]
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 [P-1]
_cell_length_a [4.9552]
_cell_length_b [6.0637]
_cell_length_c [7.4577]
_cell_angle_alpha [107.7959]
_cell_angle_beta [102.9567]
_cell_angle_gamma [99.1980]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsH6(SO)2]
_chemical_formula_sum '[Cs1 H6 S2 O2]'
_cell_volume [201.5306]
_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
[
  Cs  Cs0  1  0.5000  0.5000  0.0000  1.0
  H  H1  2  0.0346  0.6898  0.7076  1.0
  H  H2  2  0.1615  0.5689  0.3631  1.0
  H  H3  2  0.4138  0.1690  0.3279  1.0
  S  S4  2  0.3578  0.9169  0.6150  1.0
  O  O5  2  0.0800  0.4184  0.2468  1.0
]