# generated using pymatgen
data_Ti3SeS3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.51567551
_cell_length_b   9.58544564
_cell_length_c   3.43374382
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.31377833
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti3SeS3
_chemical_formula_sum   'Ti6 Se2 S6'
_cell_volume   273.09401529
_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  0.65229568  0.13981795  0.24999900  1.0
  Ti  Ti1  1  0.48123158  0.34792507  0.24999900  1.0
  Ti  Ti2  1  0.85791659  0.50890109  0.24999900  1.0
  Ti  Ti3  1  0.13444591  0.49084085  0.75000100  1.0
  Ti  Ti4  1  0.50505712  0.63674925  0.75000100  1.0
  Ti  Ti5  1  0.36174565  0.86935076  0.75000100  1.0
  Se  Se6  1  0.04522221  0.70491591  0.75000100  1.0
  Se  Se7  1  0.66199669  0.95160560  0.75000100  1.0
  S  S8  1  0.36443384  0.04922810  0.24999900  1.0
  S  S9  1  0.95448480  0.31650765  0.24999900  1.0
  S  S10  1  0.67987212  0.63031383  0.24999900  1.0
  S  S11  1  0.33312162  0.66760857  0.24999900  1.0
  S  S12  1  0.66387376  0.33160686  0.75000100  1.0
  S  S13  1  0.30430344  0.35463053  0.75000100  1.0