# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.73541130
_cell_length_b   11.72346307
_cell_length_c   47.39094912
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti162
_cell_volume   6203.71738101
_cell_formula_units_Z   162
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  0.866547  0.204006  0.290454  1
  Ti  Ti2  1  0.199879  0.863681  0.274303  1
  Ti  Ti3  1  0.100910  0.124776  0.320455  1
  Ti  Ti4  1  0.507981  0.143253  0.290471  1
  Ti  Ti5  1  0.805436  0.845968  0.290288  1
  Ti  Ti6  1  0.157454  0.495020  0.309524  1
  Ti  Ti7  1  0.525263  0.538076  0.274143  1
  Ti  Ti8  1  0.445066  0.782964  0.298571  1
  Ti  Ti9  1  0.787611  0.438096  0.320587  1
  Ti  Ti10  1  0.584568  0.921775  0.321218  1
  Ti  Ti11  1  0.051822  0.710728  0.278860  1
  Ti  Ti12  1  0.983527  0.950951  0.305901  1
  Ti  Ti13  1  0.327216  0.026020  0.292071  1
  Ti  Ti14  1  0.688117  0.664830  0.292099  1
  Ti  Ti15  1  0.017462  0.354904  0.290776  1
  Ti  Ti16  1  0.372800  0.389438  0.278853  1
  Ti  Ti17  1  0.300326  0.638025  0.303167  1
  Ti  Ti18  1  0.613354  0.321460  0.305671  1
  Ti  Ti19  1  0.739695  0.077708  0.321454  1
  Ti  Ti20  1  0.080132  0.731766  0.337831  1
  Ti  Ti21  1  0.006029  0.973262  0.365018  1
  Ti  Ti22  1  0.349918  0.042013  0.351483  1
  Ti  Ti23  1  0.705071  0.686748  0.351537  1
  Ti  Ti24  1  0.035129  0.372468  0.348987  1
  Ti  Ti25  1  0.394684  0.417345  0.337775  1
  Ti  Ti26  1  0.320902  0.657777  0.364232  1
  Ti  Ti27  1  0.636573  0.343028  0.364757  1
  Ti  Ti28  1  0.464818  0.801816  0.359767  1
  Ti  Ti29  1  0.916553  0.609918  0.318059  1
  Ti  Ti30  1  0.833582  0.855290  0.349298  1
  Ti  Ti31  1  0.228737  0.879123  0.332291  1
  Ti  Ti32  1  0.541733  0.566187  0.332148  1
  Ti  Ti33  1  0.883296  0.219794  0.349790  1
  Ti  Ti34  1  0.272242  0.254203  0.318297  1
  Ti  Ti35  1  0.176914  0.513576  0.368773  1
  Ti  Ti36  1  0.517923  0.170879  0.349487  1
  Ti  Ti37  1  0.606833  0.943373  0.381120  1
  Ti  Ti38  1  0.937856  0.628112  0.378439  1
  Ti  Ti39  1  0.853704  0.876223  0.409130  1
  Ti  Ti40  1  0.247929  0.899697  0.392298  1
  Ti  Ti41  1  0.563142  0.584548  0.392165  1
  Ti  Ti42  1  0.903932  0.239465  0.409413  1
  Ti  Ti43  1  0.291308  0.274674  0.378673  1
  Ti  Ti44  1  0.197385  0.533045  0.428404  1
  Ti  Ti45  1  0.539622  0.190036  0.409357  1
  Ti  Ti46  1  0.341680  0.677583  0.424896  1
  Ti  Ti47  1  0.809030  0.459504  0.380769  1
  Ti  Ti48  1  0.725701  0.706936  0.411673  1
  Ti  Ti49  1  0.099411  0.751883  0.397847  1
  Ti  Ti50  1  0.415756  0.435650  0.397753  1
  Ti  Ti51  1  0.759126  0.096422  0.381162  1
  Ti  Ti52  1  0.123202  0.145541  0.380588  1
  Ti  Ti53  1  0.055614  0.392028  0.408608  1
  Ti  Ti54  1  0.370941  0.061722  0.411566  1
  Ti  Ti55  1  0.485862  0.821988  0.420562  1
  Ti  Ti56  1  0.829654  0.479226  0.440999  1
  Ti  Ti57  1  0.746324  0.726571  0.471958  1
  Ti  Ti58  1  0.120232  0.771572  0.457934  1
  Ti  Ti59  1  0.436486  0.455451  0.457814  1
  Ti  Ti60  1  0.779794  0.116179  0.441109  1
  Ti  Ti61  1  0.143963  0.165168  0.440794  1
  Ti  Ti62  1  0.076004  0.411475  0.468295  1
  Ti  Ti63  1  0.391648  0.081270  0.471803  1
  Ti  Ti64  1  0.217693  0.552259  0.487995  1
  Ti  Ti65  1  0.657336  0.362390  0.424871  1
  Ti  Ti66  1  0.583948  0.604254  0.452351  1
  Ti  Ti67  1  0.958468  0.648441  0.438814  1
  Ti  Ti68  1  0.312584  0.294326  0.439049  1
  Ti  Ti69  1  0.627569  0.963032  0.441590  1
  Ti  Ti70  1  0.026333  0.993105  0.425160  1
  Ti  Ti71  1  0.924357  0.258789  0.469286  1
  Ti  Ti72  1  0.268578  0.919513  0.452480  1
  Ti  Ti73  1  0.362323  0.697172  0.485365  1
  Ti  Ti74  1  0.678097  0.382024  0.484941  1
  Ti  Ti75  1  0.604885  0.623825  0.512632  1
  Ti  Ti76  1  0.979302  0.668082  0.499160  1
  Ti  Ti77  1  0.333317  0.314077  0.499392  1
  Ti  Ti78  1  0.648317  0.982692  0.501957  1
  Ti  Ti79  1  0.047000  0.012804  0.485255  1
  Ti  Ti80  1  0.944915  0.278177  0.529237  1
  Ti  Ti81  1  0.289211  0.939371  0.512753  1
  Ti  Ti82  1  0.096331  0.430741  0.528025  1
  Ti  Ti83  1  0.560224  0.209727  0.469389  1
  Ti  Ti84  1  0.457389  0.474967  0.517818  1
  Ti  Ti85  1  0.850391  0.498806  0.501118  1
  Ti  Ti86  1  0.164665  0.184832  0.500895  1
  Ti  Ti87  1  0.506532  0.841630  0.481083  1
  Ti  Ti88  1  0.874397  0.895826  0.469145  1
  Ti  Ti89  1  0.800384  0.135751  0.501113  1
  Ti  Ti90  1  0.140858  0.791344  0.517966  1
  Ti  Ti91  1  0.238029  0.571426  0.547443  1
  Ti  Ti92  1  0.580943  0.229349  0.529475  1
  Ti  Ti93  1  0.478503  0.494393  0.577796  1
  Ti  Ti94  1  0.871005  0.518600  0.561228  1
  Ti  Ti95  1  0.185614  0.204286  0.561005  1
  Ti  Ti96  1  0.527224  0.861216  0.541445  1
  Ti  Ti97  1  0.895117  0.915471  0.529217  1
  Ti  Ti98  1  0.821071  0.155318  0.561170  1
  Ti  Ti99  1  0.161456  0.811266  0.577983  1
  Ti  Ti100  1  0.965622  0.297706  0.589191  1
  Ti  Ti101  1  0.412577  0.100848  0.532043  1
  Ti  Ti102  1  0.354114  0.333883  0.559739  1
  Ti  Ti103  1  0.698978  0.401581  0.544946  1
  Ti  Ti104  1  0.067686  0.032529  0.545280  1
  Ti  Ti105  1  0.382933  0.716652  0.545673  1
  Ti  Ti106  1  0.767036  0.746398  0.532231  1
  Ti  Ti107  1  0.669068  0.002250  0.562375  1
  Ti  Ti108  1  1.000272  0.687730  0.559512  1
  Ti  Ti109  1  0.116685  0.449960  0.587661  1
  Ti  Ti110  1  0.433284  0.120593  0.592321  1
  Ti  Ti111  1  0.374656  0.354031  0.620165  1
  Ti  Ti112  1  0.720212  0.420972  0.604782  1
  Ti  Ti113  1  0.088226  0.052593  0.605131  1
  Ti  Ti114  1  0.403373  0.735884  0.605898  1
  Ti  Ti115  1  0.788016  0.765895  0.592541  1
  Ti  Ti116  1  0.690047  0.022025  0.622974  1
  Ti  Ti117  1  0.021657  0.707011  0.619954  1
  Ti  Ti118  1  0.841771  0.174865  0.621266  1
  Ti  Ti119  1  0.310080  0.958990  0.573055  1
  Ti  Ti120  1  0.206114  0.224352  0.621250  1
  Ti  Ti121  1  0.601621  0.248934  0.589558  1
  Ti  Ti122  1  0.915864  0.935000  0.589301  1
  Ti  Ti123  1  0.258291  0.590445  0.606666  1
  Ti  Ti124  1  0.625674  0.643553  0.572943  1
  Ti  Ti125  1  0.547864  0.880630  0.601740  1
  Ti  Ti126  1  0.892335  0.537797  0.621466  1
  Ti  Ti127  1  0.985698  0.316376  0.649219  1
  Ti  Ti128  1  0.330584  0.979390  0.633315  1
  Ti  Ti129  1  0.224650  0.242429  0.681525  1
  Ti  Ti130  1  0.621764  0.267090  0.649631  1
  Ti  Ti131  1  0.935300  0.953988  0.649390  1
  Ti  Ti132  1  0.279057  0.610068  0.665422  1
  Ti  Ti133  1  0.647377  0.662806  0.633233  1
  Ti  Ti134  1  0.570203  0.901683  0.661599  1
  Ti  Ti135  1  0.911671  0.555178  0.681683  1
  Ti  Ti136  1  0.710466  0.041025  0.684363  1
  Ti  Ti137  1  0.181432  0.831823  0.638042  1
  Ti  Ti138  1  0.108297  0.070413  0.664767  1
  Ti  Ti139  1  0.453094  0.141430  0.652589  1
  Ti  Ti140  1  0.810091  0.784640  0.652833  1
  Ti  Ti141  1  0.136827  0.468816  0.647193  1
  Ti  Ti142  1  0.500294  0.513128  0.637803  1
  Ti  Ti143  1  0.424996  0.756253  0.665484  1
  Ti  Ti144  1  0.739524  0.439618  0.664400  1
  Ti  Ti145  1  0.860728  0.192690  0.681238  1
  Ti  Ti146  1  0.207731  0.848950  0.697892  1
  Ti  Ti147  1  0.139396  0.090928  0.722677  1
  Ti  Ti148  1  0.466871  0.165416  0.711809  1
  Ti  Ti149  1  0.835238  0.797341  0.712079  1
  Ti  Ti150  1  0.150035  0.481065  0.705567  1
  Ti  Ti151  1  0.519455  0.538187  0.697513  1
  Ti  Ti152  1  0.442972  0.773036  0.725041  1
  Ti  Ti153  1  0.760929  0.468973  0.722401  1
  Ti  Ti154  1  0.590997  0.921459  0.721499  1
  Ti  Ti155  1  0.046072  0.724885  0.680355  1
  Ti  Ti156  1  0.962816  0.970710  0.708161  1
  Ti  Ti157  1  0.356688  0.995970  0.693048  1
  Ti  Ti158  1  0.665511  0.687669  0.693017  1
  Ti  Ti159  1  0.995674  0.325315  0.708730  1
  Ti  Ti160  1  0.393681  0.377489  0.680569  1
  Ti  Ti161  1  0.292588  0.620279  0.723573  1
  Ti  Ti162  1  0.639417  0.293430  0.708360  1
