# generated using pymatgen
data_TiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42450655
_cell_length_b   3.42450655
_cell_length_c   17.54704546
_cell_angle_alpha   83.70329423
_cell_angle_beta   83.70329423
_cell_angle_gamma   59.99747558
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiS2
_chemical_formula_sum   'Ti2 S4'
_cell_volume   176.77004378
_cell_formula_units_Z   2
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  0.56375242  0.56375242  0.82913222  1.0
  Ti  Ti1  1  0.43624758  0.43624758  0.17086778  1.0
  S  S2  1  0.92793474  0.92793474  0.74846194  1.0
  S  S3  1  0.07206526  0.07206526  0.25153806  1.0
  S  S4  1  0.20081346  0.20081346  0.90961896  1.0
  S  S5  1  0.79918654  0.79918654  0.09038104  1.0