data_[K1Zn1H5S2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zn  1.6500  1.3500  0.8800
  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 [P1]
_cell_length_a [4.6585]
_cell_length_b [5.8984]
_cell_length_c [8.3072]
_cell_angle_alpha [103.6311]
_cell_angle_beta [97.9892]
_cell_angle_gamma [97.0005]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KZnH5(SO5)2]
_chemical_formula_sum '[K1 Zn1 H5 S2 O10]'
_cell_volume [216.8284]
_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
[
  K  K0  1  0.0256  0.0053  0.4946  1.0
  Zn  Zn1  1  0.0064  0.0092  0.0061  1.0
  H  H2  1  0.0377  0.6652  0.1689  1.0
  H  H3  1  0.3516  0.7160  0.1152  1.0
  H  H4  1  0.4955  0.5289  0.5131  1.0
  H  H5  1  0.6447  0.2800  0.8991  1.0
  H  H6  1  0.9457  0.3353  0.8333  1.0
  S  S7  1  0.3802  0.6831  0.7605  1.0
  S  S8  1  0.6160  0.3195  0.2448  1.0
  O  O9  1  0.1803  0.7872  0.1433  1.0
  O  O10  1  0.2056  0.8775  0.7914  1.0
  O  O11  1  0.2061  0.4474  0.7291  1.0
  O  O12  1  0.3727  0.2834  0.0981  1.0
  O  O13  1  0.4922  0.7000  0.5942  1.0
  O  O14  1  0.4971  0.3065  0.4019  1.0
  O  O15  1  0.6345  0.7187  0.8969  1.0
  O  O16  1  0.7924  0.5555  0.2710  1.0
  O  O17  1  0.7965  0.1261  0.2108  1.0
  O  O18  1  0.8100  0.2102  0.8586  1.0
]