data_[Cs2H2S4O16]
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 [C2/m]
_cell_length_a [12.3605]
_cell_length_b [4.7987]
_cell_length_c [7.8308]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.1078]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsH(SO4)2]
_chemical_formula_sum '[Cs2 H2 S4 O16]'
_cell_volume [397.6885]
_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  0.0000  0.5000  0.5000  1
  H  H1  2  0.0000  0.0000  0.0000  1
  S  S2  4  0.1644  0.5000  0.1374  1
  O  O3  8  0.0959  0.2481  0.1561  1
  O  O4  4  0.1632  0.5000  0.9518  1
  O  O5  4  0.2093  0.0000  0.6813  1
]