# generated using pymatgen
data_Li4TiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18577135
_cell_length_b   7.76591711
_cell_length_c   14.17916789
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiS4
_chemical_formula_sum   'Li16 Ti4 S16'
_cell_volume   681.14152662
_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  0.50000000  -0.00000000  -0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  -0.00000000  1
  Li  Li2  1  0.87003073  0.25000000  0.08849924  1
  Li  Li3  1  0.30868694  0.49832259  0.17805258  1
  Li  Li4  1  0.30868694  0.00167741  0.17805258  1
  Li  Li5  1  0.80868694  0.99832259  0.32194742  1
  Li  Li6  1  0.80868694  0.50167741  0.32194742  1
  Li  Li7  1  0.37003073  0.75000000  0.41150076  1
  Li  Li8  1  -0.00000000  -0.00000000  0.50000000  1
  Li  Li9  1  -0.00000000  0.50000000  0.50000000  1
  Li  Li10  1  0.62996927  0.25000000  0.58849924  1
  Li  Li11  1  0.19131306  0.49832259  0.67805258  1
  Li  Li12  1  0.19131306  0.00167741  0.67805258  1
  Li  Li13  1  0.69131306  0.99832259  0.82194742  1
  Li  Li14  1  0.69131306  0.50167741  0.82194742  1
  Li  Li15  1  0.12996927  0.75000000  0.91150076  1
  Ti  Ti16  1  0.85110520  0.75000000  0.08848878  1
  Ti  Ti17  1  0.35110520  0.25000000  0.41151122  1
  Ti  Ti18  1  0.64889480  0.75000000  0.58848878  1
  Ti  Ti19  1  0.14889480  0.25000000  0.91151122  1
  S  S20  1  0.26167575  0.25000000  0.06427426  1
  S  S21  1  0.21623580  0.75000000  0.08219854  1
  S  S22  1  0.71733192  0.50920687  0.15694224  1
  S  S23  1  0.71733192  0.99079313  0.15694224  1
  S  S24  1  0.21733192  0.00920687  0.34305776  1
  S  S25  1  0.21733192  0.49079313  0.34305776  1
  S  S26  1  0.71623580  0.25000000  0.41780146  1
  S  S27  1  0.76167575  0.75000000  0.43572574  1
  S  S28  1  0.23832425  0.25000000  0.56427426  1
  S  S29  1  0.28376420  0.75000000  0.58219854  1
  S  S30  1  0.78266808  0.50920687  0.65694224  1
  S  S31  1  0.78266808  0.99079313  0.65694224  1
  S  S32  1  0.28266808  0.00920687  0.84305776  1
  S  S33  1  0.28266808  0.49079313  0.84305776  1
  S  S34  1  0.78376420  0.25000000  0.91780146  1
  S  S35  1  0.73832425  0.75000000  0.93572574  1
