# generated using pymatgen
data_Ti6SiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98625117
_cell_length_b   9.98625117
_cell_length_c   4.99437455
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti6SiS
_chemical_formula_sum   'Ti24 Si4 S4'
_cell_volume   498.06506212
_cell_formula_units_Z   4
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  0.21419230  0.68046023  0.99163471  1.0
  Ti  Ti1  1  0.78580770  0.31953977  0.99163471  1.0
  Ti  Ti2  1  0.18046023  0.28580770  0.49163471  1.0
  Ti  Ti3  1  0.81953977  0.71419230  0.49163471  1.0
  Ti  Ti4  1  0.28192667  0.81587844  0.50759076  1.0
  Ti  Ti5  1  0.71807333  0.18412156  0.50759076  1.0
  Ti  Ti6  1  0.31587844  0.21807333  0.00759076  1.0
  Ti  Ti7  1  0.68412156  0.78192667  0.00759076  1.0
  Ti  Ti8  1  0.64330644  0.52850388  0.71871070  1.0
  Ti  Ti9  1  0.35669356  0.47149612  0.71871070  1.0
  Ti  Ti10  1  0.02850388  0.85669356  0.21871070  1.0
  Ti  Ti11  1  0.97149612  0.14330644  0.21871070  1.0
  Ti  Ti12  1  0.86374294  0.97224371  0.78140968  1.0
  Ti  Ti13  1  0.13625706  0.02775629  0.78140968  1.0
  Ti  Ti14  1  0.47224371  0.63625706  0.28140968  1.0
  Ti  Ti15  1  0.52775629  0.36374294  0.28140968  1.0
  Ti  Ti16  1  0.10622900  0.58242312  0.46574966  1.0
  Ti  Ti17  1  0.89377100  0.41757688  0.46574966  1.0
  Ti  Ti18  1  0.08242312  0.39377100  0.96574966  1.0
  Ti  Ti19  1  0.91757688  0.60622900  0.96574966  1.0
  Ti  Ti20  1  0.39331767  0.91784800  0.03462297  1.0
  Ti  Ti21  1  0.60668233  0.08215200  0.03462297  1.0
  Ti  Ti22  1  0.41784800  0.10668233  0.53462297  1.0
  Ti  Ti23  1  0.58215200  0.89331767  0.53462297  1.0
  Si  Si24  1  0.79559895  0.95870160  0.28702582  1.0
  Si  Si25  1  0.20440105  0.04129840  0.28702582  1.0
  Si  Si26  1  0.45870160  0.70440105  0.78702582  1.0
  Si  Si27  1  0.54129840  0.29559895  0.78702582  1.0
  S  S28  1  0.70910355  0.54135113  0.21325470  1.0
  S  S29  1  0.29089645  0.45864887  0.21325470  1.0
  S  S30  1  0.04135113  0.79089645  0.71325470  1.0
  S  S31  1  0.95864887  0.20910355  0.71325470  1.0