# generated using pymatgen
data_Ti5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.44035618
_cell_length_b   5.97308518
_cell_length_c   11.94064255
_cell_angle_alpha   81.04190592
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti5S8
_chemical_formula_sum   'Ti5 S8'
_cell_volume   242.38175782
_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  0.01010061  0.00282903  1.0
  Ti  Ti1  1  0.50000000  0.49525263  0.99852494  1.0
  Ti  Ti2  1  0.00000000  0.49770317  0.49381173  1.0
  Ti  Ti3  1  0.50000000  0.99678067  0.50145964  1.0
  Ti  Ti4  1  0.50000000  0.41365425  0.26348227  1.0
  S  S5  1  0.50000000  0.29802685  0.61286814  1.0
  S  S6  1  -0.00000000  0.79407823  0.61620019  1.0
  S  S7  1  0.50000000  0.71390467  0.37314667  1.0
  S  S8  1  0.00000000  0.19571237  0.37259525  1.0
  S  S9  1  0.00000000  0.62471078  0.13063794  1.0
  S  S10  1  0.50000000  0.13224911  0.12790375  1.0
  S  S11  1  0.00000000  0.36901744  0.88208795  1.0
  S  S12  1  0.50000000  0.87022821  0.89019249  1.0