# generated using pymatgen
data_Ti8S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.60852730
_cell_length_b   12.60852730
_cell_length_c   19.21284848
_cell_angle_alpha   57.40842127
_cell_angle_beta   57.40842127
_cell_angle_gamma   15.20338054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti8S3
_chemical_formula_sum   'Ti32 S12'
_cell_volume   672.40220672
_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  0.59526900  0.59526900  0.58544700  1.0
  Ti  Ti1  1  0.01143600  0.01143600  0.57492500  1.0
  Ti  Ti2  1  0.94004400  0.94004400  0.28050000  1.0
  Ti  Ti3  1  0.55124000  0.55124000  0.27816700  1.0
  Ti  Ti4  1  0.84792000  0.84792000  0.20271400  1.0
  Ti  Ti5  1  0.83651900  0.83651900  0.84580000  1.0
  Ti  Ti6  1  0.00986700  0.00986700  0.08860500  1.0
  Ti  Ti7  1  0.16348100  0.16348100  0.15420000  1.0
  Ti  Ti8  1  0.32891100  0.32891100  0.33947300  1.0
  Ti  Ti9  1  0.98856400  0.98856400  0.42507500  1.0
  Ti  Ti10  1  0.58014900  0.58014900  0.42769900  1.0
  Ti  Ti11  1  0.71825500  0.71825500  0.39298100  1.0
  Ti  Ti12  1  0.70488000  0.70488000  0.87264200  1.0
  Ti  Ti13  1  0.43255100  0.43255100  0.05621200  1.0
  Ti  Ti14  1  0.80149400  0.80149400  0.46707600  1.0
  Ti  Ti15  1  0.44876000  0.44876000  0.72183300  1.0
  Ti  Ti16  1  0.15208000  0.15208000  0.79728600  1.0
  Ti  Ti17  1  0.29512000  0.29512000  0.12735800  1.0
  Ti  Ti18  1  0.76668800  0.76668800  0.04091900  1.0
  Ti  Ti19  1  0.23331200  0.23331200  0.95908100  1.0
  Ti  Ti20  1  0.05995600  0.05995600  0.71950000  1.0
  Ti  Ti21  1  0.56744900  0.56744900  0.94378800  1.0
  Ti  Ti22  1  0.67108900  0.67108900  0.66052700  1.0
  Ti  Ti23  1  0.99013300  0.99013300  0.91139500  1.0
  Ti  Ti24  1  0.37880700  0.37880700  0.93184600  1.0
  Ti  Ti25  1  0.40473100  0.40473100  0.41455300  1.0
  Ti  Ti26  1  0.41985100  0.41985100  0.57230100  1.0
  Ti  Ti27  1  0.69592800  0.69592800  0.25053700  1.0
  Ti  Ti28  1  0.28174500  0.28174500  0.60701900  1.0
  Ti  Ti29  1  0.30407200  0.30407200  0.74946300  1.0
  Ti  Ti30  1  0.19850600  0.19850600  0.53292400  1.0
  Ti  Ti31  1  0.62119300  0.62119300  0.06815400  1.0
  S  S32  1  0.94623900  0.94623900  0.82364800  1.0
  S  S33  1  0.74372300  0.74372300  0.71980700  1.0
  S  S34  1  0.12897800  0.12897800  0.96740900  1.0
  S  S35  1  0.05376100  0.05376100  0.17635200  1.0
  S  S36  1  0.10801100  0.10801100  0.31453400  1.0
  S  S37  1  0.13012800  0.13012800  0.47252200  1.0
  S  S38  1  0.89198900  0.89198900  0.68546600  1.0
  S  S39  1  0.42812000  0.42812000  0.19117300  1.0
  S  S40  1  0.86987200  0.86987200  0.52747800  1.0
  S  S41  1  0.25627700  0.25627700  0.28019300  1.0
  S  S42  1  0.57188000  0.57188000  0.80882700  1.0
  S  S43  1  0.87102200  0.87102200  0.03259100  1.0