# generated using pymatgen
data_LiTi(SO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.43164151
_cell_length_b   3.43164151
_cell_length_c   10.28618522
_cell_angle_alpha   85.68176226
_cell_angle_beta   85.68176226
_cell_angle_gamma   62.38372181
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTi(SO)2
_chemical_formula_sum   'Li1 Ti1 S2 O2'
_cell_volume   106.91489463
_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  0.00000000  0.00000000  0.50000000  1
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1
  S  S2  1  0.68438300  0.68438300  0.86338600  1
  S  S3  1  0.31561700  0.31561700  0.13661400  1
  O  O4  1  0.57293900  0.57293900  0.54873500  1
  O  O5  1  0.42706100  0.42706100  0.45126500  1
