# generated using pymatgen
data_LiHSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37367700
_cell_length_b   5.34147800
_cell_length_c   8.55968605
_cell_angle_alpha   89.84818721
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiHSO4
_chemical_formula_sum   'Li4 H4 S4 O16'
_cell_volume   337.13346564
_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
  Li  Li0  1  0.30365100  0.48785800  0.00260800  1
  Li  Li1  1  0.80365100  0.51214200  0.49739200  1
  Li  Li2  1  0.69634900  0.51214200  0.99739200  1
  Li  Li3  1  0.19634900  0.48785800  0.50260800  1
  H  H4  1  0.61249800  0.12904400  0.77551800  1
  H  H5  1  0.11249800  0.87095600  0.72448200  1
  H  H6  1  0.38750200  0.87095600  0.22448200  1
  H  H7  1  0.88750200  0.12904400  0.27551800  1
  S  S8  1  0.48110400  0.77844300  0.71539000  1
  S  S9  1  0.98110400  0.22155700  0.78461000  1
  S  S10  1  0.51889600  0.22155700  0.28461000  1
  S  S11  1  0.01889600  0.77844300  0.21539000  1
  O  O12  1  0.49227200  0.66946700  0.87398400  1
  O  O13  1  0.99227200  0.33053300  0.62601600  1
  O  O14  1  0.50772800  0.33053300  0.12601600  1
  O  O15  1  0.00772800  0.66946700  0.37398400  1
  O  O16  1  0.29853300  0.74111000  0.64831000  1
  O  O17  1  0.79853300  0.25889000  0.85169000  1
  O  O18  1  0.70146700  0.25889000  0.35169000  1
  O  O19  1  0.20146700  0.74111000  0.14831000  1
  O  O20  1  0.62600800  0.69748900  0.61343200  1
  O  O21  1  0.12600800  0.30251100  0.88656800  1
  O  O22  1  0.37399200  0.30251100  0.38656800  1
  O  O23  1  0.87399200  0.69748900  0.11343200  1
  O  O24  1  0.49166400  0.07109100  0.73234900  1
  O  O25  1  0.99166400  0.92890900  0.76765100  1
  O  O26  1  0.50833600  0.92890900  0.26765100  1
  O  O27  1  0.00833600  0.07109100  0.23234900  1
