data_[K1Li1H4S1O5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  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 [4.7018]
_cell_length_b [5.6176]
_cell_length_c [6.2832]
_cell_angle_alpha [65.0087]
_cell_angle_beta [74.7851]
_cell_angle_gamma [87.5549]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [KLiH4SO5]
_chemical_formula_sum '[K1 Li1 H4 S1 O5]'
_cell_volume [144.7054]
_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  0.0482  0.0340  0.9741  1.0
  Li  Li1  1  0.3684  0.3199  0.3536  1.0
  H  H2  1  0.4521  0.5222  0.9150  1.0
  H  H3  1  0.7485  0.3676  0.5519  1.0
  H  H4  1  0.7750  0.1007  0.5386  1.0
  H  H5  1  0.7902  0.5320  0.9223  1.0
  S  S6  1  0.2588  0.7489  0.5089  1.0
  O  O7  1  0.1042  0.5674  0.4369  1.0
  O  O8  1  0.1126  0.0137  0.4196  1.0
  O  O9  1  0.1534  0.6322  0.7922  1.0
  O  O10  1  0.5893  0.4410  0.0181  1.0
  O  O11  1  0.6230  0.2113  0.5870  1.0
]