data_[K2H6O3]
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-62m]
_cell_length_a [5.8617]
_cell_length_b [5.8617]
_cell_length_c [3.4706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [K2(H2O)3]
_chemical_formula_sum '[K2 H6 O3]'
_cell_volume [103.2719]
_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  2  0.3333  0.6667  0.0000  1
  H  H1  3  0.0000  0.1595  0.5000  1
  H  H2  3  0.0000  0.9078  0.0000  1
  O  O3  3  0.0000  0.7568  0.5000  1
]