# generated using pymatgen
data_Li4TiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69784109
_cell_length_b   6.69784109
_cell_length_c   7.82441100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.52625266
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiS4
_chemical_formula_sum   'Li8 Ti2 S8'
_cell_volume   350.67035356
_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  0.83906200  0.16093800  0.50000000  1
  Li  Li1  1  0.83906200  0.16093800  0.00000000  1
  Li  Li2  1  0.41570400  0.10854300  0.75000000  1
  Li  Li3  1  0.89145700  0.58429600  0.25000000  1
  Li  Li4  1  0.10854300  0.41570400  0.75000000  1
  Li  Li5  1  0.58429600  0.89145700  0.25000000  1
  Li  Li6  1  0.16093800  0.83906200  0.00000000  1
  Li  Li7  1  0.16093800  0.83906200  0.50000000  1
  Ti  Ti8  1  0.33822900  0.33822900  0.25000000  1
  Ti  Ti9  1  0.66177100  0.66177100  0.75000000  1
  S  S10  1  0.66837600  0.27366700  0.25000000  1
  S  S11  1  0.72633300  0.33162400  0.75000000  1
  S  S12  1  0.20455100  0.20455100  0.00368400  1
  S  S13  1  0.20455100  0.20455100  0.49631600  1
  S  S14  1  0.79544900  0.79544900  0.99631600  1
  S  S15  1  0.79544900  0.79544900  0.50368400  1
  S  S16  1  0.33162400  0.72633300  0.75000000  1
  S  S17  1  0.27366700  0.66837600  0.25000000  1
