data_[K2H6O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.0741]
_cell_length_b [5.8503]
_cell_length_c [6.5667]
_cell_angle_alpha [82.9148]
_cell_angle_beta [77.2788]
_cell_angle_gamma [76.4122]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KH3O2]
_chemical_formula_sum '[K2 H6 O4]'
_cell_volume [147.9746]
_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
[
  K  K0  2  0.3057  0.0541  0.2613  1
  H  H1  2  0.0480  0.7170  0.1545  1
  H  H2  2  0.1753  0.4068  0.5830  1
  H  H3  2  0.2624  0.5524  0.9592  1
  O  O4  2  0.1212  0.2548  0.6385  1
  O  O5  2  0.1852  0.7179  0.9887  1
]