# generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42672650
_cell_length_b   3.42585535
_cell_length_c   8.72185772
_cell_angle_alpha   100.92274531
_cell_angle_beta   90.00000007
_cell_angle_gamma   120.00840169
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti1 S2'
_cell_volume   86.51610107
_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  0.00000000  0.00000000  0.00000000  1.0
  S  S1  1  0.38624409  0.77249018  0.16476952  1.0
  S  S2  1  0.61375591  0.22750982  0.83523048  1.0