# generated using pymatgen
data_Ti5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.16743144
_cell_length_b   12.16743144
_cell_length_c   5.94890515
_cell_angle_alpha   76.73375627
_cell_angle_beta   76.73375627
_cell_angle_gamma   16.15716427
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5S8
_chemical_formula_sum   'Ti5 S8'
_cell_volume   238.40525693
_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  0.75779400  0.75779400  0.91160100  1.0
  Ti  Ti1  1  0.62490000  0.62490000  0.03431300  1.0
  Ti  Ti2  1  0.12497300  0.12497300  0.55301600  1.0
  Ti  Ti3  1  0.37487600  0.37487600  0.95584800  1.0
  Ti  Ti4  1  0.87730700  0.87730700  0.45017100  1.0
  S  S5  1  0.31220000  0.31220000  0.67456700  1.0
  S  S6  1  0.81264900  0.81264900  0.19364000  1.0
  S  S7  1  0.06366200  0.06366200  0.93443800  1.0
  S  S8  1  0.56726700  0.56726700  0.43144900  1.0
  S  S9  1  0.43708800  0.43708800  0.23173000  1.0
  S  S10  1  0.93505100  0.93505100  0.73526400  1.0
  S  S11  1  0.68884800  0.68884800  0.65113400  1.0
  S  S12  1  0.19029400  0.19029400  0.14748000  1.0