data_[K8H24S8O48]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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/c]
_cell_length_a [18.4844]
_cell_length_b [7.7496]
_cell_length_c [7.5657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0679]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [KH3SO6]
_chemical_formula_sum '[K8 H24 S8 O48]'
_cell_volume [1083.5745]
_cell_formula_units_Z [8]
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
[
  K  K0  8  0.1806  0.3786  0.8769  1
  H  H1  8  0.0425  0.3244  0.5432  1
  H  H2  8  0.0457  0.1313  0.8773  1
  H  H3  8  0.0498  0.1893  0.0737  1
  S  S4  8  0.1526  0.1400  0.3549  1
  O  O5  8  0.0397  0.2334  0.9534  1
  O  O6  8  0.0809  0.0872  0.2887  1
  O  O7  8  0.0927  0.3786  0.5381  1
  O  O8  8  0.1394  0.2257  0.5544  1
  O  O9  8  0.1854  0.2748  0.2479  1
  O  O10  8  0.2007  0.0002  0.9078  1
]