# generated using pymatgen
data_LiTiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51214395
_cell_length_b   3.51214334
_cell_length_c   6.39536064
_cell_angle_alpha   74.06269607
_cell_angle_beta   74.06270495
_cell_angle_gamma   59.99999541
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTiS2
_chemical_formula_sum   'Li1 Ti1 S2'
_cell_volume   64.79383337
_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  0.50000000  0.50000000  1.0
  Ti  Ti1  1  -0.00000000  0.00000000  0.00000000  1.0
  S  S2  1  0.74541240  0.74541240  0.76376281  1.0
  S  S3  1  0.25458760  0.25458760  0.23623719  1.0