# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.77170676
_cell_length_b   14.98938155
_cell_length_c   47.99512280
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti192
_cell_volume   7790.13391138
_cell_formula_units_Z   192
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  0.831915  0.181240  0.299236  1
  Ti  Ti2  1  0.331342  0.181247  0.299235  1
  Ti  Ti3  1  0.966273  0.452605  0.336540  1
  Ti  Ti4  1  0.399781  0.817550  0.317576  1
  Ti  Ti5  1  0.763275  0.544679  0.282581  1
  Ti  Ti6  1  0.898935  0.815838  0.317084  1
  Ti  Ti7  1  0.797079  0.362826  0.290325  1
  Ti  Ti8  1  0.298436  0.363783  0.290651  1
  Ti  Ti9  1  0.933597  0.635731  0.327334  1
  Ti  Ti10  1  0.365203  0.998947  0.308358  1
  Ti  Ti11  1  0.432981  0.635056  0.326689  1
  Ti  Ti12  1  0.865525  0.998797  0.308293  1
  Ti  Ti13  1  0.047292  0.363770  0.290653  1
  Ti  Ti14  1  0.547714  0.362817  0.290325  1
  Ti  Ti15  1  0.184033  0.635045  0.326680  1
  Ti  Ti16  1  0.615770  0.998940  0.308359  1
  Ti  Ti17  1  0.684072  0.635727  0.327331  1
  Ti  Ti18  1  0.115304  0.998800  0.308293  1
  Ti  Ti19  1  0.581338  0.180657  0.299249  1
  Ti  Ti20  1  0.081877  0.181739  0.299201  1
  Ti  Ti21  1  0.008882  0.542973  0.283425  1
  Ti  Ti22  1  0.149037  0.815723  0.317116  1
  Ti  Ti23  1  0.515951  0.542947  0.283423  1
  Ti  Ti24  1  0.648705  0.815715  0.317113  1
  Ti  Ti25  1  0.535551  0.089161  0.354087  1
  Ti  Ti26  1  0.035695  0.089451  0.353993  1
  Ti  Ti27  1  0.671897  0.361919  0.391528  1
  Ti  Ti28  1  0.104417  0.726031  0.372632  1
  Ti  Ti29  1  0.468265  0.452601  0.336540  1
  Ti  Ti30  1  0.603522  0.726034  0.372634  1
  Ti  Ti31  1  0.501511  0.271093  0.344968  1
  Ti  Ti32  1  1.002037  0.271754  0.344950  1
  Ti  Ti33  1  0.638132  0.544251  0.382306  1
  Ti  Ti34  1  0.069588  0.907257  0.363050  1
  Ti  Ti35  1  0.138157  0.544171  0.381984  1
  Ti  Ti36  1  0.569967  0.907472  0.363198  1
  Ti  Ti37  1  0.751522  0.271096  0.344968  1
  Ti  Ti38  1  0.251655  0.271754  0.344950  1
  Ti  Ti39  1  0.888003  0.544250  0.382306  1
  Ti  Ti40  1  0.319440  0.907476  0.363199  1
  Ti  Ti41  1  0.387899  0.544169  0.381987  1
  Ti  Ti42  1  0.819601  0.907254  0.363049  1
  Ti  Ti43  1  0.285481  0.089419  0.354049  1
  Ti  Ti44  1  0.785877  0.089417  0.354050  1
  Ti  Ti45  1  0.717548  0.453162  0.336104  1
  Ti  Ti46  1  0.854189  0.726479  0.372870  1
  Ti  Ti47  1  0.218227  0.454517  0.335390  1
  Ti  Ti48  1  0.353976  0.726053  0.372629  1
  Ti  Ti49  1  0.239927  0.998182  0.409741  1
  Ti  Ti50  1  0.740116  0.998179  0.409740  1
  Ti  Ti51  1  0.376320  0.270847  0.447123  1
  Ti  Ti52  1  0.808364  0.634898  0.428606  1
  Ti  Ti53  1  0.172168  0.362459  0.391253  1
  Ti  Ti54  1  0.308310  0.634791  0.428449  1
  Ti  Ti55  1  0.205912  0.180149  0.400570  1
  Ti  Ti56  1  0.705926  0.179951  0.400621  1
  Ti  Ti57  1  0.342346  0.452970  0.437803  1
  Ti  Ti58  1  0.774077  0.816598  0.419105  1
  Ti  Ti59  1  0.842338  0.452896  0.437922  1
  Ti  Ti60  1  0.274258  0.816567  0.419113  1
  Ti  Ti61  1  0.455897  0.179952  0.400621  1
  Ti  Ti62  1  0.956106  0.180149  0.400570  1
  Ti  Ti63  1  0.592377  0.452896  0.437921  1
  Ti  Ti64  1  0.024367  0.816597  0.419104  1
  Ti  Ti65  1  0.092443  0.452971  0.437802  1
  Ti  Ti66  1  0.524153  0.816566  0.419113  1
  Ti  Ti67  1  0.989991  0.998122  0.409682  1
  Ti  Ti68  1  0.489992  0.998121  0.409778  1
  Ti  Ti69  1  0.421870  0.361835  0.391620  1
  Ti  Ti70  1  0.558204  0.634825  0.428501  1
  Ti  Ti71  1  0.921842  0.361836  0.391619  1
  Ti  Ti72  1  0.058452  0.634826  0.428500  1
  Ti  Ti73  1  0.944493  0.907200  0.465520  1
  Ti  Ti74  1  0.444485  0.907185  0.465578  1
  Ti  Ti75  1  0.080819  0.179903  0.502692  1
  Ti  Ti76  1  0.512662  0.543642  0.484266  1
  Ti  Ti77  1  0.876335  0.270847  0.447123  1
  Ti  Ti78  1  0.012739  0.543642  0.484265  1
  Ti  Ti79  1  0.910435  0.088992  0.456236  1
  Ti  Ti80  1  0.410347  0.088925  0.456286  1
  Ti  Ti81  1  0.046766  0.361787  0.493516  1
  Ti  Ti82  1  0.478556  0.725432  0.474907  1
  Ti  Ti83  1  0.546745  0.361728  0.493575  1
  Ti  Ti84  1  0.978673  0.725457  0.474919  1
  Ti  Ti85  1  0.160355  0.088993  0.456236  1
  Ti  Ti86  1  0.660376  0.088925  0.456286  1
  Ti  Ti87  1  0.296767  0.361786  0.493516  1
  Ti  Ti88  1  0.728555  0.725457  0.474920  1
  Ti  Ti89  1  0.796730  0.361728  0.493575  1
  Ti  Ti90  1  0.228648  0.725432  0.474906  1
  Ti  Ti91  1  0.694473  0.907208  0.465552  1
  Ti  Ti92  1  0.194520  0.907209  0.465551  1
  Ti  Ti93  1  0.126433  0.271058  0.447006  1
  Ti  Ti94  1  0.262702  0.543645  0.484233  1
  Ti  Ti95  1  0.626324  0.270841  0.447118  1
  Ti  Ti96  1  0.762699  0.543639  0.484312  1
  Ti  Ti97  1  0.648839  0.816069  0.521319  1
  Ti  Ti98  1  0.148942  0.816070  0.521318  1
  Ti  Ti99  1  0.785158  0.088635  0.558454  1
  Ti  Ti100  1  0.217110  0.452533  0.539981  1
  Ti  Ti101  1  0.580748  0.179761  0.502774  1
  Ti  Ti102  1  0.717115  0.452544  0.540048  1
  Ti  Ti103  1  0.614806  0.997881  0.512023  1
  Ti  Ti104  1  0.114832  0.997924  0.511963  1
  Ti  Ti105  1  0.751134  0.270631  0.549245  1
  Ti  Ti106  1  0.183057  0.634306  0.530690  1
  Ti  Ti107  1  0.251238  0.270704  0.549205  1
  Ti  Ti108  1  0.682966  0.634303  0.530698  1
  Ti  Ti109  1  0.864815  0.997923  0.511964  1
  Ti  Ti110  1  0.364800  0.997881  0.512023  1
  Ti  Ti111  1  1.001140  0.270704  0.549205  1
  Ti  Ti112  1  0.432948  0.634306  0.530691  1
  Ti  Ti113  1  0.501171  0.270632  0.549245  1
  Ti  Ti114  1  0.933036  0.634304  0.530697  1
  Ti  Ti115  1  0.398890  0.816068  0.521357  1
  Ti  Ti116  1  0.898893  0.816075  0.521298  1
  Ti  Ti117  1  0.830761  0.179777  0.502764  1
  Ti  Ti118  1  0.967117  0.452558  0.540017  1
  Ti  Ti119  1  0.330752  0.179777  0.502764  1
  Ti  Ti120  1  0.467126  0.452557  0.540017  1
  Ti  Ti121  1  0.353299  0.724960  0.577183  1
  Ti  Ti122  1  0.853264  0.724891  0.577082  1
  Ti  Ti123  1  0.489478  0.997359  0.614114  1
  Ti  Ti124  1  0.921464  0.361527  0.595737  1
  Ti  Ti125  1  0.285141  0.088635  0.558453  1
  Ti  Ti126  1  0.421673  0.361526  0.595738  1
  Ti  Ti127  1  0.319162  0.906688  0.567772  1
  Ti  Ti128  1  0.819113  0.906710  0.567667  1
  Ti  Ti129  1  0.455569  0.179493  0.604864  1
  Ti  Ti130  1  0.887486  0.543324  0.586530  1
  Ti  Ti131  1  0.955510  0.179633  0.604855  1
  Ti  Ti132  1  0.387332  0.543259  0.586489  1
  Ti  Ti133  1  0.569178  0.906688  0.567773  1
  Ti  Ti134  1  0.069251  0.906711  0.567665  1
  Ti  Ti135  1  0.705527  0.179493  0.604864  1
  Ti  Ti136  1  0.137552  0.543258  0.586488  1
  Ti  Ti137  1  0.205728  0.179634  0.604855  1
  Ti  Ti138  1  0.637457  0.543323  0.586531  1
  Ti  Ti139  1  0.103391  0.724889  0.577097  1
  Ti  Ti140  1  0.603138  0.724889  0.577099  1
  Ti  Ti141  1  0.535142  0.088620  0.558450  1
  Ti  Ti142  1  0.671557  0.361504  0.595767  1
  Ti  Ti143  1  0.035276  0.088889  0.558312  1
  Ti  Ti144  1  0.171512  0.361413  0.595687  1
  Ti  Ti145  1  0.058227  0.633834  0.632997  1
  Ti  Ti146  1  0.557172  0.633841  0.633002  1
  Ti  Ti147  1  0.192517  0.905628  0.669737  1
  Ti  Ti148  1  0.625864  0.270190  0.651422  1
  Ti  Ti149  1  0.989834  0.998071  0.613694  1
  Ti  Ti150  1  0.125851  0.270164  0.651387  1
  Ti  Ti151  1  0.023596  0.815297  0.623381  1
  Ti  Ti152  1  0.523612  0.815451  0.623637  1
  Ti  Ti153  1  0.160196  0.088429  0.660447  1
  Ti  Ti154  1  0.592226  0.452432  0.642363  1
  Ti  Ti155  1  0.659820  0.088092  0.660351  1
  Ti  Ti156  1  0.091841  0.452058  0.642225  1
  Ti  Ti157  1  0.273422  0.815451  0.623637  1
  Ti  Ti158  1  0.773283  0.815294  0.623384  1
  Ti  Ti159  1  0.409814  0.088093  0.660351  1
  Ti  Ti160  1  0.841747  0.452433  0.642362  1
  Ti  Ti161  1  0.909774  0.088433  0.660446  1
  Ti  Ti162  1  0.341759  0.452059  0.642226  1
  Ti  Ti163  1  0.807800  0.634055  0.633085  1
  Ti  Ti164  1  0.307843  0.634133  0.633155  1
  Ti  Ti165  1  0.239430  0.997301  0.614176  1
  Ti  Ti166  1  0.376118  0.270323  0.651411  1
  Ti  Ti167  1  0.739467  0.997299  0.614176  1
  Ti  Ti168  1  0.875743  0.270326  0.651410  1
  Ti  Ti169  1  0.762957  0.544458  0.688423  1
  Ti  Ti170  1  0.262002  0.542554  0.687952  1
  Ti  Ti171  1  0.900716  0.819784  0.720923  1
  Ti  Ti172  1  0.330246  0.178392  0.706183  1
  Ti  Ti173  1  0.694648  0.905627  0.669738  1
  Ti  Ti174  1  0.829628  0.178402  0.706183  1
  Ti  Ti175  1  0.727038  0.724686  0.678629  1
  Ti  Ti176  1  0.228735  0.725335  0.679157  1
  Ti  Ti177  1  0.864260  0.997139  0.714615  1
  Ti  Ti178  1  0.295923  0.360380  0.697105  1
  Ti  Ti179  1  0.364756  0.997171  0.714106  1
  Ti  Ti180  1  0.795977  0.360901  0.697137  1
  Ti  Ti181  1  0.979130  0.724664  0.678615  1
  Ti  Ti182  1  0.478056  0.725334  0.679155  1
  Ti  Ti183  1  0.114424  0.997116  0.714616  1
  Ti  Ti184  1  0.546372  0.360899  0.697138  1
  Ti  Ti185  1  0.613986  0.997180  0.714108  1
  Ti  Ti186  1  0.045912  0.360379  0.697105  1
  Ti  Ti187  1  0.511550  0.542475  0.687958  1
  Ti  Ti188  1  0.012375  0.542468  0.687957  1
  Ti  Ti189  1  0.944787  0.908033  0.668319  1
  Ti  Ti190  1  0.079854  0.178222  0.706211  1
  Ti  Ti191  1  0.443794  0.906044  0.669356  1
  Ti  Ti192  1  0.579901  0.178327  0.706139  1
