data_[Cs2H2S4O14]
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 [5.2989]
_cell_length_b [7.7179]
_cell_length_c [8.5131]
_cell_angle_alpha [94.5577]
_cell_angle_beta [102.9078]
_cell_angle_gamma [105.9587]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsHS2O7]
_chemical_formula_sum '[Cs2 H2 S4 O14]'
_cell_volume [322.5698]
_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  0.2021  0.8140  0.1346  1
  H  H1  2  0.1954  0.3958  0.3582  1
  S  S2  2  0.1524  0.8154  0.6113  1
  S  S3  2  0.4818  0.6332  0.8151  1
  O  O4  2  0.1068  0.3470  0.4502  1
  O  O5  2  0.1581  0.9132  0.7640  1
  O  O6  2  0.1988  0.9092  0.4779  1
  O  O7  2  0.2320  0.5235  0.8430  1
  O  O8  2  0.3507  0.4700  0.2395  1
  O  O9  2  0.3672  0.2097  0.0617  1
  O  O10  2  0.3957  0.7220  0.6426  1
]