# generated using pymatgen
data_Li4TiS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.76356347
_cell_length_b   6.76356347
_cell_length_c   6.76356347
_cell_angle_alpha   128.64676570
_cell_angle_beta   128.64676570
_cell_angle_gamma   75.57961047
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li4TiS4
_chemical_formula_sum   'Li4 Ti1 S4'
_cell_volume   183.61953872
_cell_formula_units_Z   1
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  0.50000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.71681467  0.71681467  0.00000000  1
  Li  Li3  1  0.28318533  0.28318533  0.00000000  1
  Ti  Ti4  1  0.00000000  0.00000000  0.00000000  1
  S  S5  1  0.34294538  0.34294538  0.44321885  1
  S  S6  1  0.65705462  0.10027447  0.00000000  1
  S  S7  1  0.89972553  0.89972553  0.55678115  1
  S  S8  1  0.10027447  0.65705462  -0.00000000  1
