# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29424485
_cell_length_b   9.28947349
_cell_length_c   47.62607399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti96
_cell_volume   4028.89183585
_cell_formula_units_Z   96
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  Ti1  1  0.962763  0.710796  0.340050  1
  Ti  Ti2  1  0.462763  0.210796  0.340050  1
  Ti  Ti3  1  0.546218  0.798042  0.304785  1
  Ti  Ti4  1  0.046218  0.298042  0.304785  1
  Ti  Ti5  1  0.709887  0.963683  0.340090  1
  Ti  Ti6  1  0.209887  0.463683  0.340090  1
  Ti  Ti7  1  0.296908  0.047331  0.304773  1
  Ti  Ti8  1  0.796908  0.547331  0.304773  1
  Ti  Ti9  1  0.005329  0.006291  0.321825  1
  Ti  Ti10  1  0.505329  0.506291  0.321825  1
  Ti  Ti11  1  0.418170  0.919100  0.357382  1
  Ti  Ti12  1  0.918170  0.419100  0.357382  1
  Ti  Ti13  1  0.836683  0.838213  0.290014  1
  Ti  Ti14  1  0.336683  0.338213  0.290014  1
  Ti  Ti15  1  0.251745  0.752682  0.320831  1
  Ti  Ti16  1  0.751745  0.252682  0.320831  1
  Ti  Ti17  1  0.793810  0.544784  0.411053  1
  Ti  Ti18  1  0.293810  0.044784  0.411053  1
  Ti  Ti19  1  0.377469  0.628527  0.374795  1
  Ti  Ti20  1  0.877469  0.128527  0.374795  1
  Ti  Ti21  1  0.543967  0.794639  0.411051  1
  Ti  Ti22  1  0.043967  0.294639  0.411051  1
  Ti  Ti23  1  0.127652  0.878325  0.374792  1
  Ti  Ti24  1  0.627652  0.378325  0.374792  1
  Ti  Ti25  1  0.836077  0.836885  0.393082  1
  Ti  Ti26  1  0.336077  0.336885  0.393082  1
  Ti  Ti27  1  0.252189  0.752981  0.428862  1
  Ti  Ti28  1  0.752189  0.252981  0.428862  1
  Ti  Ti29  1  0.670248  0.671156  0.357305  1
  Ti  Ti30  1  0.170248  0.171156  0.357305  1
  Ti  Ti31  1  0.085708  0.586575  0.393363  1
  Ti  Ti32  1  0.585708  0.086575  0.393363  1
  Ti  Ti33  1  0.626675  0.377405  0.482764  1
  Ti  Ti34  1  0.126675  0.877405  0.482764  1
  Ti  Ti35  1  0.210423  0.461017  0.446964  1
  Ti  Ti36  1  0.710423  0.961017  0.446964  1
  Ti  Ti37  1  0.376685  0.627395  0.482764  1
  Ti  Ti38  1  0.876685  0.127395  0.482764  1
  Ti  Ti39  1  0.960247  0.711192  0.446966  1
  Ti  Ti40  1  0.460247  0.211192  0.446966  1
  Ti  Ti41  1  0.668428  0.669176  0.464878  1
  Ti  Ti42  1  0.168428  0.169176  0.464878  1
  Ti  Ti43  1  0.084839  0.585535  0.500738  1
  Ti  Ti44  1  0.584839  0.085535  0.500738  1
  Ti  Ti45  1  0.502136  0.502927  0.428847  1
  Ti  Ti46  1  0.002136  0.002927  0.428847  1
  Ti  Ti47  1  0.918468  0.419214  0.464869  1
  Ti  Ti48  1  0.418468  0.919214  0.464869  1
  Ti  Ti49  1  0.459420  0.209870  0.554528  1
  Ti  Ti50  1  0.959420  0.709870  0.554528  1
  Ti  Ti51  1  0.042983  0.293667  0.518730  1
  Ti  Ti52  1  0.542983  0.793667  0.518730  1
  Ti  Ti53  1  0.209245  0.460045  0.554530  1
  Ti  Ti54  1  0.709245  0.960045  0.554530  1
  Ti  Ti55  1  0.792993  0.543657  0.518730  1
  Ti  Ti56  1  0.292993  0.043657  0.518730  1
  Ti  Ti57  1  0.501200  0.501848  0.536625  1
  Ti  Ti58  1  1.001200  1.001848  0.536625  1
  Ti  Ti59  1  0.917532  0.418135  0.572647  1
  Ti  Ti60  1  0.417532  0.918135  0.572647  1
  Ti  Ti61  1  0.334828  0.335527  0.500756  1
  Ti  Ti62  1  0.834828  0.835527  0.500756  1
  Ti  Ti63  1  0.751240  0.251886  0.536616  1
  Ti  Ti64  1  0.251240  0.751886  0.536616  1
  Ti  Ti65  1  0.292016  0.042737  0.626702  1
  Ti  Ti66  1  0.792016  0.542737  0.626702  1
  Ti  Ti67  1  0.875701  0.126423  0.590443  1
  Ti  Ti68  1  0.375701  0.626423  0.590443  1
  Ti  Ti69  1  0.042198  0.292535  0.626699  1
  Ti  Ti70  1  0.542198  0.792535  0.626699  1
  Ti  Ti71  1  0.625858  0.376278  0.590441  1
  Ti  Ti72  1  0.125858  0.876278  0.590441  1
  Ti  Ti73  1  0.333959  0.334487  0.608131  1
  Ti  Ti74  1  0.833959  0.834487  0.608131  1
  Ti  Ti75  1  0.749420  0.249906  0.644190  1
  Ti  Ti76  1  0.249420  0.749906  0.644190  1
  Ti  Ti77  1  0.167478  0.168081  0.572632  1
  Ti  Ti78  1  0.667478  0.668081  0.572632  1
  Ti  Ti79  1  0.583591  0.084177  0.608412  1
  Ti  Ti80  1  0.083591  0.584177  0.608412  1
  Ti  Ti81  1  0.122760  0.873731  0.696721  1
  Ti  Ti82  1  0.622760  0.373731  0.696721  1
  Ti  Ti83  1  0.709781  0.957379  0.661404  1
  Ti  Ti84  1  0.209781  0.457379  0.661404  1
  Ti  Ti85  1  0.873450  0.123020  0.696709  1
  Ti  Ti86  1  0.373450  0.623020  0.696709  1
  Ti  Ti87  1  0.456905  0.210266  0.661444  1
  Ti  Ti88  1  0.956905  0.710266  0.661444  1
  Ti  Ti89  1  0.167922  0.168380  0.680663  1
  Ti  Ti90  1  0.667922  0.668380  0.680663  1
  Ti  Ti91  1  0.582985  0.082849  0.711480  1
  Ti  Ti92  1  0.082985  0.582849  0.711480  1
  Ti  Ti93  1  1.001498  1.001962  0.644112  1
  Ti  Ti94  1  0.501498  0.501962  0.644112  1
  Ti  Ti95  1  0.414339  0.914771  0.679669  1
  Ti  Ti96  1  0.914339  0.414771  0.679669  1
