# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.56772076
_cell_length_b   18.56525074
_cell_length_c   17.11617859
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti287
_cell_volume   5109.71710066
_cell_formula_units_Z   287
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  0.997889  0.998637  0.155531  1
  Ti  Ti2  1  0.997889  0.998637  0.328284  1
  Ti  Ti3  1  0.997890  -0.001362  0.498939  1
  Ti  Ti4  1  -0.002109  -0.001362  0.669594  1
  Ti  Ti5  1  -0.002109  -0.001362  0.842347  1
  Ti  Ti6  1  0.997889  0.246492  0.998939  1
  Ti  Ti7  1  0.997164  0.249414  0.166214  1
  Ti  Ti8  1  0.997854  0.248391  0.332150  1
  Ti  Ti9  1  -0.002110  0.248578  0.498939  1
  Ti  Ti10  1  -0.002074  0.248427  0.665729  1
  Ti  Ti11  1  -0.001384  0.250139  0.831665  1
  Ti  Ti12  1  0.997890  0.498638  0.998939  1
  Ti  Ti13  1  -0.002093  0.498646  0.165219  1
  Ti  Ti14  1  0.997475  0.498430  0.332135  1
  Ti  Ti15  1  0.997890  0.498638  0.498939  1
  Ti  Ti16  1  -0.001695  0.498845  0.665743  1
  Ti  Ti17  1  0.997873  0.498630  0.832659  1
  Ti  Ti18  1  -0.002109  0.750783  0.998939  1
  Ti  Ti19  1  0.997164  0.747136  0.166213  1
  Ti  Ti20  1  0.997854  0.748848  0.332149  1
  Ti  Ti21  1  0.997890  0.748697  0.498939  1
  Ti  Ti22  1  -0.002074  0.748884  0.665728  1
  Ti  Ti23  1  -0.001384  0.747861  0.831664  1
  Ti  Ti24  1  0.245741  -0.001362  0.998939  1
  Ti  Ti25  1  0.249399  -0.000635  0.166216  1
  Ti  Ti26  1  0.247679  -0.001326  0.332151  1
  Ti  Ti27  1  0.247830  0.998637  0.498939  1
  Ti  Ti28  1  0.247643  0.998602  0.665727  1
  Ti  Ti29  1  0.248670  0.997910  0.831663  1
  Ti  Ti30  1  0.245743  0.246490  0.998939  1
  Ti  Ti31  1  0.249396  0.249417  0.166216  1
  Ti  Ti32  1  0.247680  0.248391  0.332150  1
  Ti  Ti33  1  0.247830  0.248578  0.498939  1
  Ti  Ti34  1  0.247644  0.248427  0.665728  1
  Ti  Ti35  1  0.248667  0.250141  0.831664  1
  Ti  Ti36  1  0.248267  0.499391  0.999433  1
  Ti  Ti37  1  0.247871  0.498600  0.166021  1
  Ti  Ti38  1  0.247960  0.498777  0.332749  1
  Ti  Ti39  1  0.247785  0.498427  0.499433  1
  Ti  Ti40  1  0.247899  0.498657  0.666181  1
  Ti  Ti41  1  0.246038  0.494935  0.833560  1
  Ti  Ti42  1  0.248268  0.748260  0.999432  1
  Ti  Ti43  1  0.247871  0.748656  0.166021  1
  Ti  Ti44  1  0.247961  0.748569  0.332749  1
  Ti  Ti45  1  0.247784  0.748743  0.499433  1
  Ti  Ti46  1  0.247899  0.748626  0.666181  1
  Ti  Ti47  1  0.246039  0.750486  0.833560  1
  Ti  Ti48  1  0.497890  -0.001362  0.998939  1
  Ti  Ti49  1  0.497882  0.998621  0.165219  1
  Ti  Ti50  1  0.498099  -0.000945  0.332135  1
  Ti  Ti51  1  0.497890  -0.001362  0.498939  1
  Ti  Ti52  1  0.497681  0.998220  0.665743  1
  Ti  Ti53  1  0.497898  -0.001346  0.832659  1
  Ti  Ti54  1  0.498647  0.249016  0.998447  1
  Ti  Ti55  1  0.494192  0.246789  0.164319  1
  Ti  Ti56  1  0.497911  0.248649  0.331698  1
  Ti  Ti57  1  0.497678  0.248532  0.498446  1
  Ti  Ti58  1  0.498029  0.248707  0.665130  1
  Ti  Ti59  1  0.497852  0.248619  0.831857  1
  Ti  Ti60  1  0.497890  0.498638  0.998939  1
  Ti  Ti61  1  0.497881  0.498645  0.165219  1
  Ti  Ti62  1  0.498098  0.498430  0.332135  1
  Ti  Ti63  1  0.497890  0.498638  0.498939  1
  Ti  Ti64  1  0.497682  0.498845  0.665743  1
  Ti  Ti65  1  0.497899  0.498630  0.832659  1
  Ti  Ti66  1  0.497133  0.748259  0.999431  1
  Ti  Ti67  1  0.497928  0.748656  0.166020  1
  Ti  Ti68  1  0.497751  0.748568  0.332748  1
  Ti  Ti69  1  0.498102  0.748743  0.499432  1
  Ti  Ti70  1  0.497869  0.748626  0.666180  1
  Ti  Ti71  1  0.501588  0.750486  0.833559  1
  Ti  Ti72  1  0.750039  0.998637  0.998939  1
  Ti  Ti73  1  0.747110  -0.000635  0.166215  1
  Ti  Ti74  1  0.748137  -0.001327  0.332150  1
  Ti  Ti75  1  0.747950  -0.001362  0.498939  1
  Ti  Ti76  1  0.748101  0.998601  0.665727  1
  Ti  Ti77  1  0.746381  0.997910  0.831662  1
  Ti  Ti78  1  0.747512  0.249015  0.998446  1
  Ti  Ti79  1  0.749742  0.246789  0.164318  1
  Ti  Ti80  1  0.747881  0.248649  0.331697  1
  Ti  Ti81  1  0.747996  0.248532  0.498445  1
  Ti  Ti82  1  0.747819  0.248706  0.665129  1
  Ti  Ti83  1  0.747909  0.248619  0.831857  1
  Ti  Ti84  1  0.747513  0.497884  0.998445  1
  Ti  Ti85  1  0.749742  0.502340  0.164318  1
  Ti  Ti86  1  0.747881  0.498618  0.331696  1
  Ti  Ti87  1  0.747995  0.498848  0.498445  1
  Ti  Ti88  1  0.747820  0.498498  0.665129  1
  Ti  Ti89  1  0.747909  0.498675  0.831856  1
  Ti  Ti90  1  0.750037  0.750785  0.998939  1
  Ti  Ti91  1  0.747113  0.747134  0.166214  1
  Ti  Ti92  1  0.748136  0.748848  0.332150  1
  Ti  Ti93  1  0.747950  0.748697  0.498938  1
  Ti  Ti94  1  0.748100  0.748884  0.665727  1
  Ti  Ti95  1  0.746384  0.747858  0.831662  1
  Ti  Ti96  1  0.152640  0.076014  0.050697  1
  Ti  Ti97  1  0.163320  0.081352  0.219353  1
  Ti  Ti98  1  0.163987  0.081686  0.387229  1
  Ti  Ti99  1  0.164607  0.081996  0.553886  1
  Ti  Ti100  1  0.164395  0.081890  0.719758  1
  Ti  Ti101  1  0.171083  0.085231  0.883514  1
  Ti  Ti102  1  0.165303  0.333463  0.054328  1
  Ti  Ti103  1  0.164406  0.331669  0.221327  1
  Ti  Ti104  1  0.164569  0.331996  0.388222  1
  Ti  Ti105  1  0.164362  0.331581  0.555069  1
  Ti  Ti106  1  0.164531  0.331918  0.722285  1
  Ti  Ti107  1  0.161404  0.325667  0.890261  1
  Ti  Ti108  1  0.164243  0.581814  0.054702  1
  Ti  Ti109  1  0.164434  0.581910  0.221317  1
  Ti  Ti110  1  0.164390  0.581888  0.388063  1
  Ti  Ti111  1  0.164479  0.581932  0.554815  1
  Ti  Ti112  1  0.165342  0.582363  0.721421  1
  Ti  Ti113  1  0.165172  0.582278  0.887769  1
  Ti  Ti114  1  0.165305  0.831224  0.054328  1
  Ti  Ti115  1  0.164406  0.832122  0.221326  1
  Ti  Ti116  1  0.164569  0.831958  0.388222  1
  Ti  Ti117  1  0.164361  0.832165  0.555069  1
  Ti  Ti118  1  0.164531  0.831997  0.722284  1
  Ti  Ti119  1  0.161406  0.835120  0.890260  1
  Ti  Ti120  1  0.414185  0.082264  0.054589  1
  Ti  Ti121  1  0.415142  0.081692  0.221505  1
  Ti  Ti122  1  0.414369  0.082059  0.387735  1
  Ti  Ti123  1  0.414494  0.081849  0.554368  1
  Ti  Ti124  1  0.414661  0.082171  0.720956  1
  Ti  Ti125  1  0.414230  0.081867  0.887838  1
  Ti  Ti126  1  0.414187  0.331307  0.054589  1
  Ti  Ti127  1  0.415140  0.332834  0.221505  1
  Ti  Ti128  1  0.414369  0.331696  0.387735  1
  Ti  Ti129  1  0.414494  0.332030  0.554368  1
  Ti  Ti130  1  0.414662  0.331875  0.720955  1
  Ti  Ti131  1  0.414229  0.331748  0.887838  1
  Ti  Ti132  1  0.414713  0.581814  0.054702  1
  Ti  Ti133  1  0.414618  0.581910  0.221317  1
  Ti  Ti134  1  0.414641  0.581888  0.388063  1
  Ti  Ti135  1  0.414595  0.581932  0.554815  1
  Ti  Ti136  1  0.414162  0.582364  0.721420  1
  Ti  Ti137  1  0.414248  0.582277  0.887769  1
  Ti  Ti138  1  0.414713  0.832284  0.054702  1
  Ti  Ti139  1  0.414618  0.832094  0.221317  1
  Ti  Ti140  1  0.414641  0.832139  0.388063  1
  Ti  Ti141  1  0.414595  0.832048  0.554814  1
  Ti  Ti142  1  0.414161  0.831180  0.721419  1
  Ti  Ti143  1  0.414248  0.831355  0.887769  1
  Ti  Ti144  1  0.665222  0.082263  0.054589  1
  Ti  Ti145  1  0.663693  0.081692  0.221504  1
  Ti  Ti146  1  0.664832  0.082059  0.387734  1
  Ti  Ti147  1  0.664497  0.081849  0.554367  1
  Ti  Ti148  1  0.664652  0.082170  0.720955  1
  Ti  Ti149  1  0.664780  0.081868  0.887839  1
  Ti  Ti150  1  0.664559  0.331973  0.218743  1
  Ti  Ti151  1  0.664557  0.331971  0.387051  1
  Ti  Ti152  1  0.664556  0.331970  0.553908  1
  Ti  Ti153  1  0.664557  0.331971  0.720741  1
  Ti  Ti154  1  0.664557  0.331971  0.887336  1
  Ti  Ti155  1  0.664558  0.331972  0.053567  1
  Ti  Ti156  1  0.665221  0.582343  0.054588  1
  Ti  Ti157  1  0.663694  0.581389  0.221504  1
  Ti  Ti158  1  0.664832  0.582158  0.387734  1
  Ti  Ti159  1  0.664498  0.582033  0.554367  1
  Ti  Ti160  1  0.664652  0.581866  0.720955  1
  Ti  Ti161  1  0.664781  0.582298  0.887838  1
  Ti  Ti162  1  0.663058  0.831222  0.054328  1
  Ti  Ti163  1  0.664859  0.832122  0.221326  1
  Ti  Ti164  1  0.664531  0.831958  0.388221  1
  Ti  Ti165  1  0.664947  0.832166  0.555068  1
  Ti  Ti166  1  0.664608  0.831997  0.722284  1
  Ti  Ti167  1  0.670854  0.835119  0.890259  1
  Ti  Ti168  1  0.920521  0.076012  0.050694  1
  Ti  Ti169  1  0.915175  0.081351  0.219352  1
  Ti  Ti170  1  0.914842  0.081686  0.387228  1
  Ti  Ti171  1  0.914532  0.081996  0.553885  1
  Ti  Ti172  1  0.914637  0.081890  0.719757  1
  Ti  Ti173  1  0.911289  0.085228  0.883511  1
  Ti  Ti174  1  0.914263  0.331307  0.054589  1
  Ti  Ti175  1  0.914838  0.332833  0.221504  1
  Ti  Ti176  1  0.914470  0.331697  0.387735  1
  Ti  Ti177  1  0.914678  0.332030  0.554367  1
  Ti  Ti178  1  0.914355  0.331875  0.720955  1
  Ti  Ti179  1  0.914661  0.331747  0.887838  1
  Ti  Ti180  1  0.914264  0.582341  0.054589  1
  Ti  Ti181  1  0.914839  0.581392  0.221504  1
  Ti  Ti182  1  0.914469  0.582158  0.387734  1
  Ti  Ti183  1  0.914678  0.582033  0.554367  1
  Ti  Ti184  1  0.914355  0.581865  0.720955  1
  Ti  Ti185  1  0.914660  0.582299  0.887838  1
  Ti  Ti186  1  0.920523  0.843900  0.050692  1
  Ti  Ti187  1  0.915176  0.833209  0.219351  1
  Ti  Ti188  1  0.914841  0.832540  0.387227  1
  Ti  Ti189  1  0.914532  0.831921  0.553884  1
  Ti  Ti190  1  0.914637  0.832132  0.719756  1
  Ti  Ti191  1  0.911292  0.825446  0.883508  1
  Ti  Ti192  1  0.084488  0.171829  0.114370  1
  Ti  Ti193  1  0.081143  0.165143  0.278122  1
  Ti  Ti194  1  0.081248  0.165354  0.443994  1
  Ti  Ti195  1  0.080939  0.164735  0.610651  1
  Ti  Ti196  1  0.080604  0.164066  0.778527  1
  Ti  Ti197  1  0.075257  0.153375  0.947186  1
  Ti  Ti198  1  0.081120  0.414976  0.110040  1
  Ti  Ti199  1  0.081425  0.415410  0.276923  1
  Ti  Ti200  1  0.081102  0.415242  0.443511  1
  Ti  Ti201  1  0.081311  0.415117  0.610144  1
  Ti  Ti202  1  0.080941  0.415883  0.776374  1
  Ti  Ti203  1  0.081516  0.414934  0.943289  1
  Ti  Ti204  1  0.081119  0.665528  0.110040  1
  Ti  Ti205  1  0.081425  0.665400  0.276923  1
  Ti  Ti206  1  0.081102  0.665245  0.443511  1
  Ti  Ti207  1  0.081310  0.665578  0.610143  1
  Ti  Ti208  1  0.080942  0.664442  0.776373  1
  Ti  Ti209  1  0.081517  0.665968  0.943289  1
  Ti  Ti210  1  0.084491  0.912047  0.114367  1
  Ti  Ti211  1  0.081143  0.915385  0.278121  1
  Ti  Ti212  1  0.081248  0.915279  0.443993  1
  Ti  Ti213  1  0.080938  0.915589  0.610650  1
  Ti  Ti214  1  0.080605  0.915924  0.778526  1
  Ti  Ti215  1  0.075259  0.921263  0.947183  1
  Ti  Ti216  1  0.324926  0.162156  0.107619  1
  Ti  Ti217  1  0.331172  0.165278  0.275594  1
  Ti  Ti218  1  0.330833  0.165109  0.442810  1
  Ti  Ti219  1  0.331249  0.165317  0.609656  1
  Ti  Ti220  1  0.330921  0.165153  0.776552  1
  Ti  Ti221  1  0.332722  0.166053  0.943550  1
  Ti  Ti222  1  0.330999  0.414977  0.110039  1
  Ti  Ti223  1  0.331128  0.415409  0.276923  1
  Ti  Ti224  1  0.331282  0.415242  0.443511  1
  Ti  Ti225  1  0.330948  0.415117  0.610144  1
  Ti  Ti226  1  0.332086  0.415886  0.776374  1
  Ti  Ti227  1  0.330559  0.414932  0.943289  1
  Ti  Ti228  1  0.331223  0.665304  0.110542  1
  Ti  Ti229  1  0.331223  0.665304  0.277137  1
  Ti  Ti230  1  0.331224  0.665305  0.443970  1
  Ti  Ti231  1  0.331223  0.665304  0.610827  1
  Ti  Ti232  1  0.331221  0.665302  0.779135  1
  Ti  Ti233  1  0.331222  0.665303  0.944311  1
  Ti  Ti234  1  0.331000  0.915407  0.110039  1
  Ti  Ti235  1  0.331128  0.915105  0.276922  1
  Ti  Ti236  1  0.331283  0.915426  0.443510  1
  Ti  Ti237  1  0.330948  0.915216  0.610143  1
  Ti  Ti238  1  0.332087  0.915583  0.776373  1
  Ti  Ti239  1  0.330558  0.915012  0.943289  1
  Ti  Ti240  1  0.581532  0.165920  0.110109  1
  Ti  Ti241  1  0.581619  0.166095  0.276459  1
  Ti  Ti242  1  0.581185  0.165227  0.443063  1
  Ti  Ti243  1  0.581139  0.165136  0.609815  1
  Ti  Ti244  1  0.581162  0.165181  0.776561  1
  Ti  Ti245  1  0.581067  0.164991  0.943176  1
  Ti  Ti246  1  0.581533  0.414998  0.110109  1
  Ti  Ti247  1  0.581618  0.414911  0.276458  1
  Ti  Ti248  1  0.581185  0.415343  0.443063  1
  Ti  Ti249  1  0.581139  0.415387  0.609815  1
  Ti  Ti250  1  0.581162  0.415365  0.776561  1
  Ti  Ti251  1  0.581067  0.415461  0.943176  1
  Ti  Ti252  1  0.581551  0.665527  0.110040  1
  Ti  Ti253  1  0.581118  0.665400  0.276922  1
  Ti  Ti254  1  0.581286  0.665245  0.443510  1
  Ti  Ti255  1  0.581411  0.665579  0.610143  1
  Ti  Ti256  1  0.580640  0.664441  0.776373  1
  Ti  Ti257  1  0.581593  0.665968  0.943289  1
  Ti  Ti258  1  0.581550  0.915408  0.110039  1
  Ti  Ti259  1  0.581119  0.915104  0.276922  1
  Ti  Ti260  1  0.581286  0.915426  0.443510  1
  Ti  Ti261  1  0.581411  0.915216  0.610143  1
  Ti  Ti262  1  0.580638  0.915583  0.776373  1
  Ti  Ti263  1  0.581595  0.915011  0.943289  1
  Ti  Ti264  1  0.834374  0.162155  0.107618  1
  Ti  Ti265  1  0.831249  0.165278  0.275594  1
  Ti  Ti266  1  0.831419  0.165110  0.442809  1
  Ti  Ti267  1  0.831211  0.165317  0.609656  1
  Ti  Ti268  1  0.831374  0.165153  0.776552  1
  Ti  Ti269  1  0.830475  0.166051  0.943550  1
  Ti  Ti270  1  0.830608  0.414997  0.110109  1
  Ti  Ti271  1  0.830438  0.414912  0.276457  1
  Ti  Ti272  1  0.831301  0.415343  0.443063  1
  Ti  Ti273  1  0.831390  0.415387  0.609815  1
  Ti  Ti274  1  0.831346  0.415365  0.776561  1
  Ti  Ti275  1  0.831537  0.415461  0.943175  1
  Ti  Ti276  1  0.834376  0.671608  0.107617  1
  Ti  Ti277  1  0.831249  0.665357  0.275593  1
  Ti  Ti278  1  0.831418  0.665694  0.442809  1
  Ti  Ti279  1  0.831211  0.665279  0.609655  1
  Ti  Ti280  1  0.831374  0.665606  0.776551  1
  Ti  Ti281  1  0.830477  0.663812  0.943550  1
  Ti  Ti282  1  0.824697  0.912044  0.114364  1
  Ti  Ti283  1  0.831385  0.915385  0.278119  1
  Ti  Ti284  1  0.831173  0.915279  0.443992  1
  Ti  Ti285  1  0.831793  0.915589  0.610649  1
  Ti  Ti286  1  0.832460  0.915923  0.778525  1
  Ti  Ti287  1  0.843140  0.921261  0.947181  1
