# generated using pymatgen
data_KLiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21389070
_cell_length_b   5.21389070
_cell_length_c   8.81270000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000887
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSO4
_chemical_formula_sum   'K2 Li2 S2 O8'
_cell_volume   207.47387788
_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  1  0.00000000  0.00000000  0.18028800  1
  K  K1  1  0.00000000  0.00000000  0.68028800  1
  Li  Li2  1  0.33333300  0.66666700  0.49323400  1
  Li  Li3  1  0.66666700  0.33333300  0.99323400  1
  S  S4  1  0.33333300  0.66666700  0.88305600  1
  S  S5  1  0.66666700  0.33333300  0.38305600  1
  O  O6  1  0.94022900  0.33945100  0.43801500  1
  O  O7  1  0.60077800  0.66054900  0.93801500  1
  O  O8  1  0.66054900  0.60077800  0.43801500  1
  O  O9  1  0.39922200  0.05977100  0.43801500  1
  O  O10  1  0.33333300  0.66666700  0.71387800  1
  O  O11  1  0.66666700  0.33333300  0.21387800  1
  O  O12  1  0.33945100  0.94022900  0.93801500  1
  O  O13  1  0.05977100  0.39922200  0.93801500  1
