# generated using pymatgen
data_Ti7S12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.85002407
_cell_length_b   9.04162300
_cell_length_c   11.76312780
_cell_angle_alpha   99.51614087
_cell_angle_beta   89.85109241
_cell_angle_gamma   100.96397649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti7S12
_chemical_formula_sum   'Ti14 S24'
_cell_volume   705.09927779
_cell_formula_units_Z   2
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  0.16652997  0.66904238  0.49472471  1.0
  Ti  Ti1  1  0.17977574  0.72346865  0.76536052  1.0
  Ti  Ti2  1  0.24819529  0.00154258  0.99753415  1.0
  Ti  Ti3  1  0.50000000  -0.00000000  0.50000000  1.0
  Ti  Ti4  1  0.57849941  0.33427267  -0.00020148  1.0
  Ti  Ti5  1  0.32998852  0.32229122  0.50145993  1.0
  Ti  Ti6  1  0.83347003  0.33095762  0.50527529  1.0
  Ti  Ti7  1  0.91848896  0.66234391  0.99762783  1.0
  Ti  Ti8  1  0.42150059  0.66572733  0.00020148  1.0
  Ti  Ti9  1  0.67001148  0.67770878  0.49854007  1.0
  Ti  Ti10  1  0.75180471  0.99845742  0.00246585  1.0
  Ti  Ti11  1  -0.00000000  -0.00000000  0.50000000  1.0
  Ti  Ti12  1  0.08151104  0.33765609  0.00237217  1.0
  Ti  Ti13  1  0.82022426  0.27653135  0.23463948  1.0
  S  S14  1  0.20145464  0.80262694  0.11588636  1.0
  S  S15  1  0.22795995  0.91452700  0.62566984  1.0
  S  S16  1  0.53051814  0.13661336  0.12681896  1.0
  S  S17  1  0.27069142  0.08208850  0.37860739  1.0
  S  S18  1  0.56074633  0.24810900  0.62272472  1.0
  S  S19  1  0.30002069  0.19656999  0.87985824  1.0
  S  S20  1  0.36878388  0.47322860  0.12256053  1.0
  S  S21  1  0.86769183  0.47934024  0.12881243  1.0
  S  S22  1  0.60857504  0.41662813  0.37864377  1.0
  S  S23  1  0.39142496  0.58337187  0.62135623  1.0
  S  S24  1  0.89944255  0.58621775  0.62551646  1.0
  S  S25  1  0.63121612  0.52677140  0.87743947  1.0
  S  S26  1  0.69997931  0.80343001  0.12014176  1.0
  S  S27  1  0.93723016  0.75136565  0.37683923  1.0
  S  S28  1  0.43925367  0.75189100  0.37727528  1.0
  S  S29  1  0.72930858  0.91791150  0.62139261  1.0
  S  S30  1  0.96163095  0.86309475  0.87290524  1.0
  S  S31  1  0.46948186  0.86338664  0.87318104  1.0
  S  S32  1  0.03836905  0.13690525  0.12709476  1.0
  S  S33  1  0.77204005  0.08547300  0.37433016  1.0
  S  S34  1  0.06276984  0.24863435  0.62316077  1.0
  S  S35  1  0.79854536  0.19737306  0.88411364  1.0
  S  S36  1  0.10055745  0.41378225  0.37448354  1.0
  S  S37  1  0.13230817  0.52065976  0.87118757  1.0