# generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27358045
_cell_length_b   5.27358045
_cell_length_c   5.27358045
_cell_angle_alpha   145.22135153
_cell_angle_beta   145.22135153
_cell_angle_gamma   50.00478275
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti1 S2'
_cell_volume   47.48847673
_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  0.50000000  0.50000000  0.00000000  1.0
  S  S1  1  0.86310400  0.86310400  0.00000000  1.0
  S  S2  1  0.13689600  0.13689600  0.00000000  1.0