# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.21966473
_cell_length_b   11.71095190
_cell_length_c   45.84822040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti120
_cell_volume   4553.59577317
_cell_formula_units_Z   120
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  0.350477  0.341625  0.305252  1
  Ti  Ti2  1  0.847550  0.347575  0.304870  1
  Ti  Ti3  1  0.974508  0.093338  0.275121  1
  Ti  Ti4  1  0.894069  0.758572  0.276468  1
  Ti  Ti5  1  0.474338  0.093734  0.274943  1
  Ti  Ti6  1  0.389757  0.758253  0.276503  1
  Ti  Ti7  1  0.645430  0.254751  0.275130  1
  Ti  Ti8  1  0.142452  0.254724  0.275127  1
  Ti  Ti9  1  0.598257  0.845848  0.305379  1
  Ti  Ti10  1  0.513858  0.508766  0.304377  1
  Ti  Ti11  1  0.096257  0.849891  0.306409  1
  Ti  Ti12  1  0.722277  0.597793  0.274929  1
  Ti  Ti13  1  0.642025  0.259169  0.337105  1
  Ti  Ti14  1  0.141337  0.259193  0.337100  1
  Ti  Ti15  1  0.267435  0.008635  0.305584  1
  Ti  Ti16  1  0.222039  0.598471  0.335612  1
  Ti  Ti17  1  0.766309  0.008674  0.305593  1
  Ti  Ti18  1  0.722795  0.596962  0.336572  1
  Ti  Ti19  1  0.971750  0.099017  0.337259  1
  Ti  Ti20  1  0.472417  0.097647  0.337278  1
  Ti  Ti21  1  0.890925  0.758709  0.337940  1
  Ti  Ti22  1  0.846910  0.348721  0.368564  1
  Ti  Ti23  1  0.392844  0.758706  0.337958  1
  Ti  Ti24  1  0.019904  0.508907  0.304332  1
  Ti  Ti25  1  0.971943  0.098650  0.400916  1
  Ti  Ti26  1  0.471975  0.098584  0.400862  1
  Ti  Ti27  1  0.597107  0.848320  0.368894  1
  Ti  Ti28  1  0.516043  0.509745  0.368186  1
  Ti  Ti29  1  0.097379  0.847757  0.368990  1
  Ti  Ti30  1  0.016762  0.509737  0.368174  1
  Ti  Ti31  1  0.266267  0.009385  0.368911  1
  Ti  Ti32  1  0.766867  0.009380  0.368912  1
  Ti  Ti33  1  0.222243  0.598051  0.400211  1
  Ti  Ti34  1  0.141321  0.260069  0.400714  1
  Ti  Ti35  1  0.722254  0.598041  0.400538  1
  Ti  Ti36  1  0.346834  0.348878  0.368474  1
  Ti  Ti37  1  0.266365  0.009831  0.432791  1
  Ti  Ti38  1  0.766341  0.009828  0.432792  1
  Ti  Ti39  1  0.891612  0.759378  0.401109  1
  Ti  Ti40  1  0.846972  0.348597  0.432614  1
  Ti  Ti41  1  0.391544  0.759382  0.401117  1
  Ti  Ti42  1  0.346954  0.348630  0.432545  1
  Ti  Ti43  1  0.597069  0.848406  0.432735  1
  Ti  Ti44  1  0.097075  0.848389  0.432777  1
  Ti  Ti45  1  0.516258  0.509819  0.432513  1
  Ti  Ti46  1  0.471952  0.098637  0.464712  1
  Ti  Ti47  1  0.016461  0.509818  0.432509  1
  Ti  Ti48  1  0.641147  0.260067  0.400718  1
  Ti  Ti49  1  0.596987  0.848570  0.496694  1
  Ti  Ti50  1  0.096986  0.848568  0.496696  1
  Ti  Ti51  1  0.222024  0.598493  0.464482  1
  Ti  Ti52  1  0.141257  0.259997  0.464640  1
  Ti  Ti53  1  0.722058  0.598427  0.464588  1
  Ti  Ti54  1  0.641282  0.259996  0.464641  1
  Ti  Ti55  1  0.891366  0.759755  0.464823  1
  Ti  Ti56  1  0.391415  0.759757  0.464826  1
  Ti  Ti57  1  0.846908  0.348725  0.496599  1
  Ti  Ti58  1  0.766324  0.009908  0.496692  1
  Ti  Ti59  1  0.346913  0.348713  0.496480  1
  Ti  Ti60  1  0.971945  0.098651  0.464744  1
  Ti  Ti61  1  0.891272  0.759962  0.528712  1
  Ti  Ti62  1  0.391302  0.759963  0.528714  1
  Ti  Ti63  1  0.516247  0.509982  0.496626  1
  Ti  Ti64  1  0.471947  0.098647  0.528591  1
  Ti  Ti65  1  0.016307  0.509982  0.496625  1
  Ti  Ti66  1  0.971915  0.098711  0.528627  1
  Ti  Ti67  1  0.221899  0.598743  0.528561  1
  Ti  Ti68  1  0.721943  0.598655  0.528619  1
  Ti  Ti69  1  0.141195  0.260047  0.528581  1
  Ti  Ti70  1  0.096913  0.848716  0.560678  1
  Ti  Ti71  1  0.641294  0.260046  0.528581  1
  Ti  Ti72  1  0.266304  0.009909  0.496692  1
  Ti  Ti73  1  0.221735  0.599071  0.592595  1
  Ti  Ti74  1  0.721823  0.598895  0.592629  1
  Ti  Ti75  1  0.846813  0.348912  0.560545  1
  Ti  Ti76  1  0.766271  0.010015  0.560626  1
  Ti  Ti77  1  0.346848  0.348845  0.560239  1
  Ti  Ti78  1  0.266252  0.010014  0.560626  1
  Ti  Ti79  1  0.516138  0.510193  0.560717  1
  Ti  Ti80  1  0.016205  0.510193  0.560716  1
  Ti  Ti81  1  0.471956  0.098629  0.592478  1
  Ti  Ti82  1  0.391191  0.760233  0.592662  1
  Ti  Ti83  1  0.971872  0.098798  0.592502  1
  Ti  Ti84  1  0.596934  0.848675  0.560691  1
  Ti  Ti85  1  0.515987  0.510582  0.624946  1
  Ti  Ti86  1  0.015969  0.510586  0.624943  1
  Ti  Ti87  1  0.141041  0.260200  0.592476  1
  Ti  Ti88  1  0.096825  0.848894  0.624746  1
  Ti  Ti89  1  0.641291  0.260200  0.592478  1
  Ti  Ti90  1  0.596778  0.848992  0.624790  1
  Ti  Ti91  1  0.846582  0.349379  0.624452  1
  Ti  Ti92  1  0.346614  0.349306  0.623588  1
  Ti  Ti93  1  0.766348  0.010077  0.624631  1
  Ti  Ti94  1  0.721454  0.599616  0.656562  1
  Ti  Ti95  1  0.266120  0.010077  0.624632  1
  Ti  Ti96  1  0.891116  0.760233  0.592661  1
  Ti  Ti97  1  0.846395  0.349844  0.687810  1
  Ti  Ti98  1  0.346890  0.348806  0.685826  1
  Ti  Ti99  1  0.471707  0.099141  0.656272  1
  Ti  Ti100  1  0.391275  0.760517  0.656517  1
  Ti  Ti101  1  0.971692  0.099157  0.656244  1
  Ti  Ti102  1  0.890760  0.760521  0.656516  1
  Ti  Ti103  1  0.140701  0.260065  0.656110  1
  Ti  Ti104  1  0.641777  0.260073  0.656114  1
  Ti  Ti105  1  0.096680  0.849257  0.688329  1
  Ti  Ti106  1  0.016753  0.511489  0.688971  1
  Ti  Ti107  1  0.596342  0.849913  0.688511  1
  Ti  Ti108  1  0.221306  0.599942  0.656621  1
  Ti  Ti109  1  0.137464  0.263016  0.718459  1
  Ti  Ti110  1  0.642267  0.262970  0.718462  1
  Ti  Ti111  1  0.764519  0.012042  0.688368  1
  Ti  Ti112  1  0.721356  0.599780  0.718629  1
  Ti  Ti113  1  0.265967  0.012036  0.688369  1
  Ti  Ti114  1  0.221338  0.599765  0.719232  1
  Ti  Ti115  1  0.468423  0.105623  0.719109  1
  Ti  Ti116  1  0.972146  0.098234  0.718406  1
  Ti  Ti117  1  0.390139  0.762629  0.718694  1
  Ti  Ti118  1  0.342155  0.358838  0.745854  1
  Ti  Ti119  1  0.889863  0.762656  0.718692  1
  Ti  Ti120  1  0.514267  0.511468  0.688983  1
