# generated using pymatgen
data_Ti5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41855600
_cell_length_b   5.95784300
_cell_length_c   35.36410892
_cell_angle_alpha   89.60960142
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5S8
_chemical_formula_sum   'Ti15 S24'
_cell_volume   720.25186431
_cell_formula_units_Z   3
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  0.66175300  0.66598400  1.0
  Ti  Ti1  1  0.00000000  0.18355900  0.66646800  1.0
  Ti  Ti2  1  0.00000000  0.84882000  0.16708100  1.0
  Ti  Ti3  1  0.50000000  0.32736100  0.16727100  1.0
  Ti  Ti4  1  0.50000000  0.99458000  0.50050600  1.0
  Ti  Ti5  1  0.00000000  0.51508500  0.50023900  1.0
  Ti  Ti6  1  0.50000000  0.99150900  0.99954500  1.0
  Ti  Ti7  1  0.00000000  0.49344400  0.00185500  1.0
  Ti  Ti8  1  0.50000000  0.67169900  0.75474900  1.0
  Ti  Ti9  1  0.50000000  0.33740700  0.07877200  1.0
  Ti  Ti10  1  0.50000000  0.00405300  0.41187100  1.0
  Ti  Ti11  1  0.50000000  0.65811800  0.33285200  1.0
  Ti  Ti12  1  0.00000000  0.16003000  0.33535300  1.0
  Ti  Ti13  1  0.00000000  0.82594800  0.83148300  1.0
  Ti  Ti14  1  0.50000000  0.32419400  0.83379600  1.0
  S  S15  1  0.50000000  0.66230600  0.87155100  1.0
  S  S16  1  0.00000000  0.15883000  0.87317600  1.0
  S  S17  1  0.00000000  0.81808300  0.37629700  1.0
  S  S18  1  0.50000000  0.34035600  0.37617900  1.0
  S  S19  1  0.50000000  0.67326000  0.04282000  1.0
  S  S20  1  0.00000000  0.15158100  0.04302500  1.0
  S  S21  1  0.00000000  0.83367400  0.54111900  1.0
  S  S22  1  0.50000000  0.33432900  0.53811800  1.0
  S  S23  1  0.50000000  0.67513100  0.45770500  1.0
  S  S24  1  0.00000000  0.16958800  0.45692100  1.0
  S  S25  1  0.00000000  0.83026200  0.96015700  1.0
  S  S26  1  0.50000000  0.33341300  0.96187500  1.0
  S  S27  1  0.50000000  0.66778200  0.20476600  1.0
  S  S28  1  0.00000000  0.16682500  0.20788200  1.0
  S  S29  1  0.00000000  0.83532100  0.70954100  1.0
  S  S30  1  0.50000000  0.34080600  0.70911800  1.0
  S  S31  1  0.50000000  0.00813900  0.12447900  1.0
  S  S32  1  0.00000000  0.50300100  0.12365500  1.0
  S  S33  1  0.50000000  0.00568300  0.62869100  1.0
  S  S34  1  0.00000000  0.50390500  0.62548500  1.0
  S  S35  1  0.50000000  0.00036300  0.29526900  1.0
  S  S36  1  0.00000000  0.49707300  0.29345900  1.0
  S  S37  1  0.50000000  0.00714300  0.79035600  1.0
  S  S38  1  0.00000000  0.48558800  0.79053200  1.0