# generated using pymatgen
data_TiTeS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.60365554
_cell_length_b   3.60334692
_cell_length_c   6.52558638
_cell_angle_alpha   90.00549773
_cell_angle_beta   89.98791355
_cell_angle_gamma   119.99511757
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTeS
_chemical_formula_sum   'Ti1 Te1 S1'
_cell_volume   73.38729461
_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
  Ti  Ti0  1  0.00002046  -0.00000065  0.03326523  1.0
  Te  Te1  1  0.66676163  0.33340932  0.74700970  1.0
  S  S2  1  0.33321891  0.66659133  0.21972407  1.0