# generated using pymatgen
data_LiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.58265738
_cell_length_b   11.77495974
_cell_length_c   13.06503333
_cell_angle_alpha   86.59073602
_cell_angle_beta   95.84073235
_cell_angle_gamma   96.19317079
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiS4
_chemical_formula_sum   'Li2 S8'
_cell_volume   1912.12910262
_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
  Li  Li0  1  0.66508951  0.63205283  0.56831852  1
  Li  Li1  1  0.52361213  0.51764479  0.43744715  1
  S  S2  1  0.70872023  0.47654901  0.48170818  1
  S  S3  1  0.65735162  0.42010276  0.62112892  1
  S  S4  1  0.53796988  0.28808586  0.59970938  1
  S  S5  1  0.40654778  0.34348314  0.51266244  1
  S  S6  1  0.31627087  0.42032417  0.61048946  1
  S  S7  1  0.29371552  0.58101181  0.54813710  1
  S  S8  1  0.41886603  0.69623061  0.59252901  1
  S  S9  1  0.52185643  0.71111702  0.47787185  1
