# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78388358
_cell_length_b   15.18110072
_cell_length_c   46.00642429
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.89167876
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti216
_cell_volume   8486.39490802
_cell_formula_units_Z   216
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  0.099347  0.502604  0.312848  1
  Ti  Ti2  1  0.432680  0.169270  0.312848  1
  Ti  Ti3  1  0.490548  0.513562  0.301081  1
  Ti  Ti4  1  0.880968  0.524038  0.290408  1
  Ti  Ti5  1  0.214301  0.190704  0.290408  1
  Ti  Ti6  1  0.547634  0.857371  0.290408  1
  Ti  Ti7  1  0.766013  0.835937  0.312848  1
  Ti  Ti8  1  0.823881  0.180229  0.301081  1
  Ti  Ti9  1  0.157214  0.846895  0.301081  1
  Ti  Ti10  1  0.075683  0.688782  0.295908  1
  Ti  Ti11  1  0.409017  0.355449  0.295908  1
  Ti  Ti12  1  0.473677  0.700143  0.283973  1
  Ti  Ti13  1  0.687346  0.675876  0.304840  1
  Ti  Ti14  1  0.020679  0.342543  0.304840  1
  Ti  Ti15  1  0.354013  0.009209  0.304840  1
  Ti  Ti16  1  0.742350  0.022115  0.295908  1
  Ti  Ti17  1  0.807011  0.366809  0.283973  1
  Ti  Ti18  1  0.140344  0.033476  0.283973  1
  Ti  Ti19  1  0.922986  0.473574  0.348952  1
  Ti  Ti20  1  0.256319  0.140240  0.348952  1
  Ti  Ti21  1  0.313796  0.486165  0.337276  1
  Ti  Ti22  1  0.704048  0.496055  0.324797  1
  Ti  Ti23  1  0.037381  0.162722  0.324797  1
  Ti  Ti24  1  0.370715  0.829389  0.324797  1
  Ti  Ti25  1  0.589652  0.806907  0.348952  1
  Ti  Ti26  1  0.647130  0.152831  0.337276  1
  Ti  Ti27  1  0.980463  0.819498  0.337276  1
  Ti  Ti28  1  0.905192  0.656064  0.329699  1
  Ti  Ti29  1  0.238525  0.322731  0.329699  1
  Ti  Ti30  1  0.295109  0.665082  0.316229  1
  Ti  Ti31  1  0.511371  0.648837  0.341796  1
  Ti  Ti32  1  0.844704  0.315504  0.341796  1
  Ti  Ti33  1  0.178038  0.982171  0.341796  1
  Ti  Ti34  1  0.571859  0.989397  0.329699  1
  Ti  Ti35  1  0.628442  0.331749  0.316229  1
  Ti  Ti36  1  0.961775  0.998416  0.316229  1
  Ti  Ti37  1  0.747981  0.445410  0.386692  1
  Ti  Ti38  1  0.081314  0.112076  0.386692  1
  Ti  Ti39  1  0.140042  0.454853  0.373931  1
  Ti  Ti40  1  0.531224  0.463916  0.361102  1
  Ti  Ti41  1  0.864557  0.130583  0.361102  1
  Ti  Ti42  1  0.197890  0.797250  0.361102  1
  Ti  Ti43  1  0.414647  0.778743  0.386692  1
  Ti  Ti44  1  0.473375  0.121520  0.373931  1
  Ti  Ti45  1  0.806709  0.788187  0.373931  1
  Ti  Ti46  1  0.731943  0.627675  0.365936  1
  Ti  Ti47  1  0.065277  0.294342  0.365936  1
  Ti  Ti48  1  0.121349  0.638588  0.354207  1
  Ti  Ti49  1  0.340417  0.618052  0.378457  1
  Ti  Ti50  1  0.673751  0.284719  0.378457  1
  Ti  Ti51  1  0.007084  0.951385  0.378457  1
  Ti  Ti52  1  0.398610  0.961008  0.365936  1
  Ti  Ti53  1  0.454682  0.305254  0.354207  1
  Ti  Ti54  1  0.788016  0.971921  0.354207  1
  Ti  Ti55  1  0.574590  0.415255  0.423850  1
  Ti  Ti56  1  0.907924  0.081922  0.423850  1
  Ti  Ti57  1  0.966053  0.424816  0.411408  1
  Ti  Ti58  1  0.356961  0.435282  0.399120  1
  Ti  Ti59  1  0.690294  0.101949  0.399120  1
  Ti  Ti60  1  0.023628  0.768616  0.399120  1
  Ti  Ti61  1  0.241257  0.748588  0.423850  1
  Ti  Ti62  1  0.299387  0.091483  0.411408  1
  Ti  Ti63  1  0.632720  0.758150  0.411408  1
  Ti  Ti64  1  0.558287  0.598007  0.403355  1
  Ti  Ti65  1  0.891620  0.264674  0.403355  1
  Ti  Ti66  1  0.949531  0.607589  0.391141  1
  Ti  Ti67  1  0.167348  0.588312  0.415948  1
  Ti  Ti68  1  0.500681  0.254979  0.415948  1
  Ti  Ti69  1  0.834015  0.921646  0.415948  1
  Ti  Ti70  1  0.224953  0.931340  0.403355  1
  Ti  Ti71  1  0.282864  0.274255  0.391141  1
  Ti  Ti72  1  0.616197  0.940922  0.391141  1
  Ti  Ti73  1  0.401161  0.385735  0.461254  1
  Ti  Ti74  1  0.734494  0.052402  0.461254  1
  Ti  Ti75  1  0.792436  0.395515  0.448784  1
  Ti  Ti76  1  0.183483  0.405395  0.436352  1
  Ti  Ti77  1  0.516817  0.072061  0.436352  1
  Ti  Ti78  1  0.850150  0.738728  0.436352  1
  Ti  Ti79  1  0.067828  0.719068  0.461254  1
  Ti  Ti80  1  0.125769  0.062181  0.448784  1
  Ti  Ti81  1  0.459102  0.728848  0.448784  1
  Ti  Ti82  1  0.385111  0.568747  0.440723  1
  Ti  Ti83  1  0.718445  0.235414  0.440723  1
  Ti  Ti84  1  0.776228  0.578467  0.428314  1
  Ti  Ti85  1  0.993990  0.558673  0.453176  1
  Ti  Ti86  1  0.327323  0.225340  0.453176  1
  Ti  Ti87  1  0.660657  0.892006  0.453176  1
  Ti  Ti88  1  0.051778  0.902080  0.440723  1
  Ti  Ti89  1  0.109561  0.245134  0.428314  1
  Ti  Ti90  1  0.442894  0.911801  0.428314  1
  Ti  Ti91  1  0.227772  0.356114  0.498534  1
  Ti  Ti92  1  0.561105  0.022781  0.498534  1
  Ti  Ti93  1  0.618913  0.366040  0.486079  1
  Ti  Ti94  1  0.010060  0.375832  0.473679  1
  Ti  Ti95  1  0.343394  0.042499  0.473679  1
  Ti  Ti96  1  0.676727  0.709165  0.473679  1
  Ti  Ti97  1  0.894439  0.689447  0.498534  1
  Ti  Ti98  1  0.952246  0.032707  0.486079  1
  Ti  Ti99  1  0.285579  0.699373  0.486079  1
  Ti  Ti100  1  0.211773  0.539073  0.478009  1
  Ti  Ti101  1  0.545106  0.205740  0.478009  1
  Ti  Ti102  1  0.602913  0.548875  0.465524  1
  Ti  Ti103  1  0.820593  0.529248  0.490444  1
  Ti  Ti104  1  0.153927  0.195914  0.490444  1
  Ti  Ti105  1  0.487260  0.862581  0.490444  1
  Ti  Ti106  1  0.878440  0.872406  0.478009  1
  Ti  Ti107  1  0.936247  0.215542  0.465524  1
  Ti  Ti108  1  0.269580  0.882209  0.465524  1
  Ti  Ti109  1  0.054397  0.326668  0.535863  1
  Ti  Ti110  1  0.387730  0.993335  0.535863  1
  Ti  Ti111  1  0.445537  0.336471  0.523379  1
  Ti  Ti112  1  0.836717  0.346296  0.510944  1
  Ti  Ti113  1  0.170050  0.012963  0.510944  1
  Ti  Ti114  1  0.503384  0.679630  0.510944  1
  Ti  Ti115  1  0.721063  0.660002  0.535863  1
  Ti  Ti116  1  0.778871  0.003138  0.523379  1
  Ti  Ti117  1  0.112204  0.669804  0.523379  1
  Ti  Ti118  1  0.038397  0.509504  0.515309  1
  Ti  Ti119  1  0.371731  0.176171  0.515309  1
  Ti  Ti120  1  0.429538  0.519430  0.502853  1
  Ti  Ti121  1  0.647250  0.499712  0.527708  1
  Ti  Ti122  1  0.980583  0.166378  0.527708  1
  Ti  Ti123  1  0.313916  0.833045  0.527708  1
  Ti  Ti124  1  0.705064  0.842837  0.515309  1
  Ti  Ti125  1  0.762871  0.186096  0.502853  1
  Ti  Ti126  1  0.096205  0.852763  0.502853  1
  Ti  Ti127  1  0.881082  0.297076  0.573073  1
  Ti  Ti128  1  0.214416  0.963743  0.573073  1
  Ti  Ti129  1  0.272199  0.306797  0.560664  1
  Ti  Ti130  1  0.663320  0.316871  0.548211  1
  Ti  Ti131  1  0.996653  0.983538  0.548211  1
  Ti  Ti132  1  0.329987  0.650204  0.548211  1
  Ti  Ti133  1  0.547749  0.630410  0.573073  1
  Ti  Ti134  1  0.605532  0.973464  0.560664  1
  Ti  Ti135  1  0.938865  0.640130  0.560664  1
  Ti  Ti136  1  0.864875  0.480029  0.552603  1
  Ti  Ti137  1  0.198208  0.146696  0.552603  1
  Ti  Ti138  1  0.256149  0.489809  0.540133  1
  Ti  Ti139  1  0.473827  0.470149  0.565035  1
  Ti  Ti140  1  0.807160  0.136816  0.565035  1
  Ti  Ti141  1  0.140493  0.803482  0.565035  1
  Ti  Ti142  1  0.531541  0.813362  0.552603  1
  Ti  Ti143  1  0.589482  0.156475  0.540133  1
  Ti  Ti144  1  0.922816  0.823142  0.540133  1
  Ti  Ti145  1  0.707780  0.267955  0.610246  1
  Ti  Ti146  1  0.041113  0.934622  0.610246  1
  Ti  Ti147  1  0.099023  0.277537  0.598032  1
  Ti  Ti148  1  0.489962  0.287232  0.585439  1
  Ti  Ti149  1  0.823295  0.953898  0.585439  1
  Ti  Ti150  1  0.156629  0.620565  0.585439  1
  Ti  Ti151  1  0.374446  0.601289  0.610246  1
  Ti  Ti152  1  0.432357  0.944203  0.598032  1
  Ti  Ti153  1  0.765690  0.610870  0.598032  1
  Ti  Ti154  1  0.691257  0.450728  0.589979  1
  Ti  Ti155  1  0.024590  0.117394  0.589979  1
  Ti  Ti156  1  0.082720  0.460289  0.577537  1
  Ti  Ti157  1  0.300349  0.440261  0.602267  1
  Ti  Ti158  1  0.633682  0.106928  0.602267  1
  Ti  Ti159  1  0.967016  0.773595  0.602267  1
  Ti  Ti160  1  0.357924  0.784061  0.589979  1
  Ti  Ti161  1  0.416053  0.126955  0.577537  1
  Ti  Ti162  1  0.749386  0.793622  0.577537  1
  Ti  Ti163  1  0.535961  0.236956  0.647180  1
  Ti  Ti164  1  0.869294  0.903623  0.647180  1
  Ti  Ti165  1  0.925367  0.247869  0.635451  1
  Ti  Ti166  1  0.316893  0.257492  0.622930  1
  Ti  Ti167  1  0.650226  0.924159  0.622930  1
  Ti  Ti168  1  0.983559  0.590825  0.622930  1
  Ti  Ti169  1  0.202628  0.570290  0.647180  1
  Ti  Ti170  1  0.258700  0.914536  0.635451  1
  Ti  Ti171  1  0.592033  0.581202  0.635451  1
  Ti  Ti172  1  0.517268  0.420690  0.627456  1
  Ti  Ti173  1  0.850601  0.087357  0.627456  1
  Ti  Ti174  1  0.909329  0.430134  0.614695  1
  Ti  Ti175  1  0.126086  0.411627  0.640285  1
  Ti  Ti176  1  0.459420  0.078294  0.640285  1
  Ti  Ti177  1  0.792753  0.744961  0.640285  1
  Ti  Ti178  1  0.183935  0.754024  0.627456  1
  Ti  Ti179  1  0.242663  0.096801  0.614695  1
  Ti  Ti180  1  0.575996  0.763468  0.614695  1
  Ti  Ti181  1  0.362201  0.210461  0.685158  1
  Ti  Ti182  1  0.695535  0.877128  0.685158  1
  Ti  Ti183  1  0.752118  0.219480  0.671689  1
  Ti  Ti184  1  0.145939  0.226706  0.659591  1
  Ti  Ti185  1  0.479272  0.893373  0.659591  1
  Ti  Ti186  1  0.812606  0.560040  0.659591  1
  Ti  Ti187  1  0.028868  0.543795  0.685158  1
  Ti  Ti188  1  0.085451  0.886147  0.671689  1
  Ti  Ti189  1  0.418785  0.552813  0.671689  1
  Ti  Ti190  1  0.343514  0.389379  0.664111  1
  Ti  Ti191  1  0.676847  0.056046  0.664111  1
  Ti  Ti192  1  0.734324  0.401970  0.652436  1
  Ti  Ti193  1  0.953262  0.379489  0.676590  1
  Ti  Ti194  1  0.286595  0.046155  0.676590  1
  Ti  Ti195  1  0.619929  0.712822  0.676590  1
  Ti  Ti196  1  0.010180  0.722712  0.664111  1
  Ti  Ti197  1  0.067658  0.068637  0.652436  1
  Ti  Ti198  1  0.400991  0.735304  0.652436  1
  Ti  Ti199  1  0.183633  0.175401  0.717414  1
  Ti  Ti200  1  0.516966  0.842068  0.717414  1
  Ti  Ti201  1  0.581627  0.186762  0.705480  1
  Ti  Ti202  1  0.969964  0.199668  0.696547  1
  Ti  Ti203  1  0.303297  0.866335  0.696547  1
  Ti  Ti204  1  0.636631  0.533001  0.696547  1
  Ti  Ti205  1  0.850299  0.508734  0.717414  1
  Ti  Ti206  1  0.914960  0.853428  0.705480  1
  Ti  Ti207  1  0.248294  0.520095  0.705480  1
  Ti  Ti208  1  0.166763  0.361982  0.700306  1
  Ti  Ti209  1  0.500096  0.028648  0.700306  1
  Ti  Ti210  1  0.557963  0.372940  0.688539  1
  Ti  Ti211  1  0.776342  0.351506  0.710979  1
  Ti  Ti212  1  0.109676  0.018173  0.710979  1
  Ti  Ti213  1  0.443009  0.684839  0.710979  1
  Ti  Ti214  1  0.833429  0.695315  0.700306  1
  Ti  Ti215  1  0.891297  0.039607  0.688539  1
  Ti  Ti216  1  0.224630  0.706274  0.688539  1
