data_[K4H4O4]
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 [Cm]
_cell_length_a [11.7994]
_cell_length_b [3.8127]
_cell_length_c [4.0919]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KHO]
_chemical_formula_sum '[K4 H4 O4]'
_cell_volume [184.0229]
_cell_formula_units_Z [4]
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  0.1497  0.5000  0.8629  1.0
  K  K1  2  0.4075  0.0000  0.2671  1.0
  H  H2  2  0.1756  0.0000  0.4129  1.0
  H  H3  2  0.4420  0.5000  0.7158  1.0
  O  O4  2  0.0951  0.0000  0.3521  1.0
  O  O5  2  0.3615  0.5000  0.7668  1.0
]