# generated using pymatgen
data_KLiSO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16844700
_cell_length_b   8.95062600
_cell_length_c   9.10292800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KLiSO4
_chemical_formula_sum   'K4 Li4 S4 O16'
_cell_volume   421.10906022
_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  1  0.73398500  0.99649000  0.71149600  1
  K  K1  1  0.73398500  0.49649000  0.78850400  1
  K  K2  1  0.23398500  0.50351000  0.21149600  1
  K  K3  1  0.23398500  0.00351000  0.28850400  1
  Li  Li4  1  0.71113700  0.34197500  0.38939200  1
  Li  Li5  1  0.71113700  0.84197500  0.11060800  1
  Li  Li6  1  0.21113700  0.65802500  0.61060800  1
  Li  Li7  1  0.21113700  0.15802500  0.88939200  1
  S  S8  1  0.20711200  0.78670800  0.93096500  1
  S  S9  1  0.70711200  0.21329200  0.06903500  1
  S  S10  1  0.70711200  0.71329200  0.43096500  1
  S  S11  1  0.20711200  0.28670800  0.56903500  1
  O  O12  1  0.92925700  0.75105100  0.96075200  1
  O  O13  1  0.85647100  0.22686000  0.92860200  1
  O  O14  1  0.23093300  0.44101800  0.62816400  1
  O  O15  1  0.80880400  0.82131300  0.32099000  1
  O  O16  1  0.42925700  0.74894900  0.46075200  1
  O  O17  1  0.35647100  0.77314000  0.07139800  1
  O  O18  1  0.80880400  0.32131300  0.17901000  1
  O  O19  1  0.23093300  0.94101800  0.87183600  1
  O  O20  1  0.35647100  0.27314000  0.42860200  1
  O  O21  1  0.30880400  0.17868700  0.67901000  1
  O  O22  1  0.85647100  0.72686000  0.57139800  1
  O  O23  1  0.30880400  0.67868700  0.82099000  1
  O  O24  1  0.92925700  0.25105100  0.53924800  1
  O  O25  1  0.42925700  0.24894900  0.03924800  1
  O  O26  1  0.73093300  0.55898200  0.37183600  1
  O  O27  1  0.73093300  0.05898200  0.12816400  1
