# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.40312637
_cell_length_b   10.81266984
_cell_length_c   48.08954402
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   46.50274821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti198
_cell_volume   7695.95101874
_cell_formula_units_Z   198
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  0.032534  0.577646  0.286262  1
  Ti  Ti2  1  0.675966  0.454751  0.294565  1
  Ti  Ti3  1  0.032534  0.077646  0.286262  1
  Ti  Ti4  1  0.423544  0.108250  0.277479  1
  Ti  Ti5  1  0.675966  0.954751  0.294565  1
  Ti  Ti6  1  0.423544  0.608250  0.277479  1
  Ti  Ti7  1  0.093049  0.256179  0.301218  1
  Ti  Ti8  1  0.826876  0.921912  0.283186  1
  Ti  Ti9  1  0.093049  0.756179  0.301218  1
  Ti  Ti10  1  0.466238  0.811429  0.294551  1
  Ti  Ti11  1  0.826876  0.421912  0.283186  1
  Ti  Ti12  1  0.466238  0.311429  0.294551  1
  Ti  Ti13  1  0.243695  0.226962  0.289135  1
  Ti  Ti14  1  0.883333  0.104183  0.296825  1
  Ti  Ti15  1  0.243695  0.726962  0.289135  1
  Ti  Ti16  1  0.620292  0.769003  0.280221  1
  Ti  Ti17  1  0.883333  0.604183  0.296825  1
  Ti  Ti18  1  0.620292  0.269003  0.280221  1
  Ti  Ti19  1  0.943307  0.820941  0.328670  1
  Ti  Ti20  1  0.585935  0.705691  0.339906  1
  Ti  Ti21  1  0.943307  0.320941  0.328670  1
  Ti  Ti22  1  0.296229  0.415428  0.307408  1
  Ti  Ti23  1  0.585935  0.205691  0.339906  1
  Ti  Ti24  1  0.296229  0.915428  0.307408  1
  Ti  Ti25  1  0.998554  0.509270  0.344309  1
  Ti  Ti26  1  0.737039  0.166373  0.325523  1
  Ti  Ti27  1  0.998554  0.009270  0.344309  1
  Ti  Ti28  1  0.365731  0.102487  0.333451  1
  Ti  Ti29  1  0.737039  0.666373  0.325523  1
  Ti  Ti30  1  0.365731  0.602487  0.333451  1
  Ti  Ti31  1  0.148063  0.472514  0.331630  1
  Ti  Ti32  1  0.793829  0.354669  0.341210  1
  Ti  Ti33  1  0.148063  0.972514  0.331630  1
  Ti  Ti34  1  0.534418  0.009811  0.322855  1
  Ti  Ti35  1  0.793829  0.854669  0.341210  1
  Ti  Ti36  1  0.534418  0.509811  0.322855  1
  Ti  Ti37  1  0.852614  0.066180  0.371117  1
  Ti  Ti38  1  0.483481  0.991543  0.379898  1
  Ti  Ti39  1  0.852614  0.566180  0.371117  1
  Ti  Ti40  1  0.208255  0.661298  0.349483  1
  Ti  Ti41  1  0.483481  0.491543  0.379898  1
  Ti  Ti42  1  0.208255  0.161298  0.349483  1
  Ti  Ti43  1  0.909411  0.756256  0.388803  1
  Ti  Ti44  1  0.649096  0.409877  0.367924  1
  Ti  Ti45  1  0.909411  0.256256  0.388803  1
  Ti  Ti46  1  0.267681  0.361433  0.375768  1
  Ti  Ti47  1  0.649096  0.909877  0.367924  1
  Ti  Ti48  1  0.267681  0.861433  0.375768  1
  Ti  Ti49  1  0.059506  0.719028  0.373981  1
  Ti  Ti50  1  0.702064  0.605251  0.386471  1
  Ti  Ti51  1  0.059506  0.219028  0.373981  1
  Ti  Ti52  1  0.417748  0.303260  0.355178  1
  Ti  Ti53  1  0.702064  0.105251  0.386471  1
  Ti  Ti54  1  0.417748  0.803260  0.355178  1
  Ti  Ti55  1  0.762822  0.309502  0.413643  1
  Ti  Ti56  1  0.384095  0.255552  0.421521  1
  Ti  Ti57  1  0.762822  0.809502  0.413643  1
  Ti  Ti58  1  0.114681  0.910637  0.392263  1
  Ti  Ti59  1  0.384095  0.755552  0.421521  1
  Ti  Ti60  1  0.114681  0.410637  0.392263  1
  Ti  Ti61  1  0.817582  1.005035  0.433350  1
  Ti  Ti62  1  0.537603  0.692825  0.402848  1
  Ti  Ti63  1  0.817582  0.505035  0.433350  1
  Ti  Ti64  1  0.176900  0.610315  0.419110  1
  Ti  Ti65  1  0.537603  0.192825  0.402848  1
  Ti  Ti66  1  0.176900  0.110315  0.419110  1
  Ti  Ti67  1  0.968318  0.962542  0.416870  1
  Ti  Ti68  1  0.600347  0.884283  0.426666  1
  Ti  Ti69  1  0.968318  0.462542  0.416870  1
  Ti  Ti70  1  0.325606  0.556165  0.396548  1
  Ti  Ti71  1  0.600347  0.384283  0.426666  1
  Ti  Ti72  1  0.325606  0.056165  0.396548  1
  Ti  Ti73  1  0.656179  0.584751  0.450209  1
  Ti  Ti74  1  0.292879  0.504788  0.465057  1
  Ti  Ti75  1  0.656179  0.084751  0.450209  1
  Ti  Ti76  1  0.025241  0.155325  0.436177  1
  Ti  Ti77  1  0.292879  1.004788  0.465057  1
  Ti  Ti78  1  0.025241  0.655325  0.436177  1
  Ti  Ti79  1  0.716789  0.278568  0.473657  1
  Ti  Ti80  1  0.441745  0.952028  0.443167  1
  Ti  Ti81  1  0.716789  0.778568  0.473657  1
  Ti  Ti82  1  0.085368  0.855859  0.462416  1
  Ti  Ti83  1  0.441745  0.452028  0.443167  1
  Ti  Ti84  1  0.085368  0.355859  0.462416  1
  Ti  Ti85  1  0.877576  0.206993  0.459278  1
  Ti  Ti86  1  0.500226  0.151377  0.467742  1
  Ti  Ti87  1  0.877576  0.706993  0.459278  1
  Ti  Ti88  1  0.232057  0.805516  0.439180  1
  Ti  Ti89  1  0.500226  0.651377  0.467742  1
  Ti  Ti90  1  0.232057  0.305516  0.439180  1
  Ti  Ti91  1  0.557049  0.848726  0.489388  1
  Ti  Ti92  1  0.201684  0.750790  0.508581  1
  Ti  Ti93  1  0.557049  0.348726  0.489388  1
  Ti  Ti94  1  0.933733  0.403378  0.480106  1
  Ti  Ti95  1  0.201684  0.250790  0.508581  1
  Ti  Ti96  1  0.933733  0.903378  0.480106  1
  Ti  Ti97  1  0.616509  0.548187  0.514234  1
  Ti  Ti98  1  0.348567  0.200767  0.485755  1
  Ti  Ti99  1  0.616509  0.048187  0.514234  1
  Ti  Ti100  1  0.993206  0.102829  0.504947  1
  Ti  Ti101  1  0.348567  0.700767  0.485755  1
  Ti  Ti102  1  0.993206  0.602829  0.504947  1
  Ti  Ti103  1  0.775115  0.475791  0.497163  1
  Ti  Ti104  1  0.408675  0.400366  0.511453  1
  Ti  Ti105  1  0.775115  0.975791  0.497163  1
  Ti  Ti106  1  0.141577  0.051201  0.482882  1
  Ti  Ti107  1  0.408675  0.900366  0.511453  1
  Ti  Ti108  1  0.141577  0.551201  0.482882  1
  Ti  Ti109  1  0.464879  0.095699  0.531920  1
  Ti  Ti110  1  0.108507  0.999533  0.551166  1
  Ti  Ti111  1  0.464879  0.595699  0.531920  1
  Ti  Ti112  1  0.833456  0.673025  0.520675  1
  Ti  Ti113  1  0.108507  0.499533  0.551166  1
  Ti  Ti114  1  0.833456  0.173025  0.520675  1
  Ti  Ti115  1  0.525015  0.796242  0.558158  1
  Ti  Ti116  1  0.257370  0.446773  0.529278  1
  Ti  Ti117  1  0.525015  0.296242  0.558158  1
  Ti  Ti118  1  0.894060  0.366836  0.544118  1
  Ti  Ti119  1  0.257370  0.946773  0.529278  1
  Ti  Ti120  1  0.894060  0.866836  0.544118  1
  Ti  Ti121  1  0.672681  0.744563  0.535057  1
  Ti  Ti122  1  0.318190  0.646046  0.555153  1
  Ti  Ti123  1  0.672681  0.244563  0.535057  1
  Ti  Ti124  1  0.050027  0.300171  0.526596  1
  Ti  Ti125  1  0.318190  0.146046  0.555153  1
  Ti  Ti126  1  0.050027  0.800171  0.526596  1
  Ti  Ti127  1  0.373352  0.341252  0.575225  1
  Ti  Ti128  1  0.012631  0.258764  0.591479  1
  Ti  Ti129  1  0.373352  0.841252  0.575225  1
  Ti  Ti130  1  0.732669  0.946526  0.560988  1
  Ti  Ti131  1  0.012631  0.758764  0.591479  1
  Ti  Ti132  1  0.732669  0.446526  0.560988  1
  Ti  Ti133  1  0.435578  0.040922  0.602070  1
  Ti  Ti134  1  0.166167  0.695995  0.572817  1
  Ti  Ti135  1  0.435578  0.540922  0.602070  1
  Ti  Ti136  1  0.787435  0.642055  0.580690  1
  Ti  Ti137  1  0.166167  0.195995  0.572817  1
  Ti  Ti138  1  0.787435  0.142055  0.580690  1
  Ti  Ti139  1  0.581947  0.988992  0.577463  1
  Ti  Ti140  1  0.224646  0.895403  0.597783  1
  Ti  Ti141  1  0.581947  0.488992  0.577463  1
  Ti  Ti142  1  0.949896  0.567312  0.567668  1
  Ti  Ti143  1  0.224646  0.395403  0.597783  1
  Ti  Ti144  1  0.949896  0.067312  0.567668  1
  Ti  Ti145  1  0.282575  0.590124  0.618567  1
  Ti  Ti146  1  0.901153  0.541693  0.626409  1
  Ti  Ti147  1  0.282575  0.090124  0.618567  1
  Ti  Ti148  1  0.640849  0.195302  0.605532  1
  Ti  Ti149  1  0.901153  0.041693  0.626409  1
  Ti  Ti150  1  0.640849  0.695302  0.605532  1
  Ti  Ti151  1  0.342000  0.290266  0.644848  1
  Ti  Ti152  1  0.066772  0.960036  0.614434  1
  Ti  Ti153  1  0.342000  0.790266  0.644848  1
  Ti  Ti154  1  0.697644  0.885369  0.623219  1
  Ti  Ti155  1  0.066772  0.460036  0.614434  1
  Ti  Ti156  1  0.697644  0.385369  0.623219  1
  Ti  Ti157  1  0.490746  0.232537  0.620353  1
  Ti  Ti158  1  0.132503  0.148311  0.639150  1
  Ti  Ti159  1  0.490746  0.732537  0.620353  1
  Ti  Ti160  1  0.848182  0.846327  0.607863  1
  Ti  Ti161  1  0.132503  0.648311  0.639150  1
  Ti  Ti162  1  0.848182  0.346327  0.607863  1
  Ti  Ti163  1  0.184515  0.849076  0.660881  1
  Ti  Ti164  1  0.813206  0.785194  0.668812  1
  Ti  Ti165  1  0.184515  0.349076  0.660881  1
  Ti  Ti166  1  0.551693  0.442299  0.650023  1
  Ti  Ti167  1  0.813206  0.285194  0.668812  1
  Ti  Ti168  1  0.551693  0.942299  0.650023  1
  Ti  Ti169  1  0.254024  0.536141  0.686923  1
  Ti  Ti170  1  0.964314  0.245886  0.654429  1
  Ti  Ti171  1  0.254024  0.036141  0.686923  1
  Ti  Ti172  1  0.606944  0.130628  0.665663  1
  Ti  Ti173  1  0.964314  0.745886  0.654429  1
  Ti  Ti174  1  0.606944  0.630628  0.665663  1
  Ti  Ti175  1  0.402189  0.479049  0.662705  1
  Ti  Ti176  1  0.015828  0.441757  0.671478  1
  Ti  Ti177  1  0.402189  0.979049  0.662705  1
  Ti  Ti178  1  0.756421  0.096904  0.653125  1
  Ti  Ti179  1  0.015828  0.941757  0.671478  1
  Ti  Ti180  1  0.756421  0.596904  0.653125  1
  Ti  Ti181  1  0.084017  0.140140  0.699783  1
  Ti  Ti182  1  0.723370  0.029670  0.711151  1
  Ti  Ti183  1  0.084017  0.640140  0.699783  1
  Ti  Ti184  1  0.457207  0.695377  0.693117  1
  Ti  Ti185  1  0.723370  0.529670  0.711151  1
  Ti  Ti186  1  0.457207  0.195377  0.693117  1
  Ti  Ti187  1  0.126708  0.843325  0.716854  1
  Ti  Ti188  1  0.874274  0.496832  0.699770  1
  Ti  Ti189  1  0.126708  0.343325  0.716854  1
  Ti  Ti190  1  0.517716  0.373917  0.708074  1
  Ti  Ti191  1  0.874274  0.996832  0.699770  1
  Ti  Ti192  1  0.517716  0.873917  0.708074  1
  Ti  Ti193  1  0.306545  0.724627  0.705199  1
  Ti  Ti194  1  0.929957  0.682563  0.714111  1
  Ti  Ti195  1  0.306545  0.224627  0.705199  1
  Ti  Ti196  1  0.666903  0.347407  0.697505  1
  Ti  Ti197  1  0.929957  0.182563  0.714111  1
  Ti  Ti198  1  0.666903  0.847407  0.697505  1
