# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.69279744
_cell_length_b   9.72335066
_cell_length_c   46.80777360
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.33995402
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti189
_cell_volume   7154.48057501
_cell_formula_units_Z   189
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  0.663618  0.087046  0.280584  1
  Ti  Ti2  1  0.996952  0.753712  0.280584  1
  Ti  Ti3  1  0.933417  0.057725  0.294689  1
  Ti  Ti4  1  0.330285  0.420379  0.280584  1
  Ti  Ti5  1  0.266750  0.724391  0.294689  1
  Ti  Ti6  1  0.223127  0.009234  0.316876  1
  Ti  Ti7  1  0.600083  0.391058  0.294689  1
  Ti  Ti8  1  0.556461  0.675901  0.316876  1
  Ti  Ti9  1  0.889794  0.342568  0.316876  1
  Ti  Ti10  1  0.633095  0.077556  0.337893  1
  Ti  Ti11  1  0.966428  0.744223  0.337893  1
  Ti  Ti12  1  0.067288  0.170591  0.289965  1
  Ti  Ti13  1  0.299761  0.410890  0.337893  1
  Ti  Ti14  1  0.400621  0.837258  0.289965  1
  Ti  Ti15  1  0.354079  0.131010  0.309917  1
  Ti  Ti16  1  0.733955  0.503925  0.289965  1
  Ti  Ti17  1  0.687412  0.797676  0.309917  1
  Ti  Ti18  1  0.020746  0.464343  0.309917  1
  Ti  Ti19  1  0.755795  0.216365  0.322020  1
  Ti  Ti20  1  0.089128  0.883032  0.322020  1
  Ti  Ti21  1  0.198117  0.293613  0.283750  1
  Ti  Ti22  1  0.422461  0.549699  0.322020  1
  Ti  Ti23  1  0.531450  0.960279  0.283750  1
  Ti  Ti24  1  0.486772  0.245303  0.306575  1
  Ti  Ti25  1  0.864783  0.626946  0.283750  1
  Ti  Ti26  1  0.820106  0.911969  0.306575  1
  Ti  Ti27  1  0.153439  0.578636  0.306575  1
  Ti  Ti28  1  0.498449  0.958372  0.341926  1
  Ti  Ti29  1  0.831782  0.625039  0.341926  1
  Ti  Ti30  1  0.783373  0.907784  0.366023  1
  Ti  Ti31  1  0.165115  0.291705  0.341926  1
  Ti  Ti32  1  0.116706  0.574450  0.366023  1
  Ti  Ti33  1  0.055551  0.872928  0.383353  1
  Ti  Ti34  1  0.450040  0.241117  0.366023  1
  Ti  Ti35  1  0.388884  0.539595  0.383353  1
  Ti  Ti36  1  0.722217  0.206261  0.383353  1
  Ti  Ti37  1  0.464443  0.950194  0.400960  1
  Ti  Ti38  1  0.797777  0.616861  0.400960  1
  Ti  Ti39  1  0.904098  0.044700  0.353997  1
  Ti  Ti40  1  0.131110  0.283528  0.400960  1
  Ti  Ti41  1  0.237432  0.711367  0.353997  1
  Ti  Ti42  1  0.186195  0.998053  0.376495  1
  Ti  Ti43  1  0.570765  0.378033  0.353997  1
  Ti  Ti44  1  0.519529  0.664719  0.376495  1
  Ti  Ti45  1  0.852862  0.331386  0.376495  1
  Ti  Ti46  1  0.597964  0.070698  0.396367  1
  Ti  Ti47  1  0.931297  0.737365  0.396367  1
  Ti  Ti48  1  0.035206  0.165592  0.348097  1
  Ti  Ti49  1  0.264631  0.404031  0.396367  1
  Ti  Ti50  1  0.368539  0.832258  0.348097  1
  Ti  Ti51  1  0.316996  0.121517  0.369942  1
  Ti  Ti52  1  0.701873  0.498925  0.348097  1
  Ti  Ti53  1  0.650329  0.788184  0.369942  1
  Ti  Ti54  1  0.983662  0.454851  0.369942  1
  Ti  Ti55  1  0.333682  0.826448  0.406988  1
  Ti  Ti56  1  0.667016  0.493115  0.406988  1
  Ti  Ti57  1  0.615051  0.780456  0.429928  1
  Ti  Ti58  1  1.000349  0.159781  0.406988  1
  Ti  Ti59  1  0.948384  0.447123  0.429928  1
  Ti  Ti60  1  0.895938  0.730843  0.455298  1
  Ti  Ti61  1  0.281717  0.113790  0.429928  1
  Ti  Ti62  1  0.229271  0.397509  0.455298  1
  Ti  Ti63  1  0.562604  0.064176  0.455298  1
  Ti  Ti64  1  0.298526  0.820095  0.466062  1
  Ti  Ti65  1  0.631860  0.486762  0.466062  1
  Ti  Ti66  1  0.747656  0.900989  0.425297  1
  Ti  Ti67  1  0.965193  0.153428  0.466062  1
  Ti  Ti68  1  0.080990  0.567656  0.425297  1
  Ti  Ti69  1  0.021551  0.863334  0.444193  1
  Ti  Ti70  1  0.414323  0.234323  0.425297  1
  Ti  Ti71  1  0.354884  0.530000  0.444193  1
  Ti  Ti72  1  0.688218  0.196667  0.444193  1
  Ti  Ti73  1  0.429944  0.942820  0.460389  1
  Ti  Ti74  1  0.763278  0.609486  0.460389  1
  Ti  Ti75  1  0.871238  0.034741  0.414245  1
  Ti  Ti76  1  0.096611  0.276153  0.460389  1
  Ti  Ti77  1  0.204571  0.701408  0.414245  1
  Ti  Ti78  1  0.150375  0.990758  0.435985  1
  Ti  Ti79  1  0.537905  0.368075  0.414245  1
  Ti  Ti80  1  0.483708  0.657425  0.435985  1
  Ti  Ti81  1  0.817042  0.324092  0.435985  1
  Ti  Ti82  1  0.171030  0.692033  0.474630  1
  Ti  Ti83  1  0.504363  0.358699  0.474630  1
  Ti  Ti84  1  0.448003  0.650574  0.495257  1
  Ti  Ti85  1  0.837696  0.025366  0.474630  1
  Ti  Ti86  1  0.781337  0.317240  0.495257  1
  Ti  Ti87  1  0.728356  0.601967  0.519983  1
  Ti  Ti88  1  0.114670  0.983907  0.495257  1
  Ti  Ti89  1  0.061690  0.268633  0.519983  1
  Ti  Ti90  1  0.395023  0.935300  0.519983  1
  Ti  Ti91  1  0.137271  0.682778  0.535033  1
  Ti  Ti92  1  0.470605  0.349444  0.535033  1
  Ti  Ti93  1  0.579944  0.772844  0.489681  1
  Ti  Ti94  1  0.803938  0.016111  0.535033  1
  Ti  Ti95  1  0.913278  0.439510  0.489681  1
  Ti  Ti96  1  0.860297  0.724237  0.514407  1
  Ti  Ti97  1  0.246611  0.106177  0.489681  1
  Ti  Ti98  1  0.193631  0.390903  0.514407  1
  Ti  Ti99  1  0.526964  0.057570  0.514407  1
  Ti  Ti100  1  0.262987  0.813625  0.525188  1
  Ti  Ti101  1  0.596321  0.480292  0.525188  1
  Ti  Ti102  1  0.711980  0.894518  0.484475  1
  Ti  Ti103  1  0.929654  0.146959  0.525188  1
  Ti  Ti104  1  0.045314  0.561185  0.484475  1
  Ti  Ti105  1  0.987484  0.854072  0.504832  1
  Ti  Ti106  1  0.378647  0.227852  0.484475  1
  Ti  Ti107  1  0.320817  0.520738  0.504832  1
  Ti  Ti108  1  0.654150  0.187405  0.504832  1
  Ti  Ti109  1  0.009774  0.554715  0.543601  1
  Ti  Ti110  1  0.343108  0.221382  0.543601  1
  Ti  Ti111  1  0.286750  0.511477  0.565471  1
  Ti  Ti112  1  0.676441  0.888048  0.543601  1
  Ti  Ti113  1  0.620083  0.178143  0.565471  1
  Ti  Ti114  1  0.560644  0.473821  0.584367  1
  Ti  Ti115  1  0.953416  0.844810  0.565471  1
  Ti  Ti116  1  0.893978  0.140488  0.584367  1
  Ti  Ti117  1  0.227311  0.807154  0.584367  1
  Ti  Ti118  1  0.974619  0.548362  0.602675  1
  Ti  Ti119  1  0.307952  0.215029  0.602675  1
  Ti  Ti120  1  0.412363  0.643968  0.554366  1
  Ti  Ti121  1  0.641285  0.881696  0.602675  1
  Ti  Ti122  1  0.745696  0.310634  0.554366  1
  Ti  Ti123  1  0.693250  0.594354  0.579735  1
  Ti  Ti124  1  0.079030  0.977301  0.554366  1
  Ti  Ti125  1  0.026584  0.261021  0.579735  1
  Ti  Ti126  1  0.359917  0.927687  0.579735  1
  Ti  Ti127  1  0.103730  0.673402  0.595419  1
  Ti  Ti128  1  0.437063  0.340069  0.595419  1
  Ti  Ti129  1  0.545023  0.765324  0.549275  1
  Ti  Ti130  1  0.770396  0.006736  0.595419  1
  Ti  Ti131  1  0.878356  0.431991  0.549275  1
  Ti  Ti132  1  0.824592  0.717385  0.573679  1
  Ti  Ti133  1  0.211690  0.098657  0.549275  1
  Ti  Ti134  1  0.157926  0.384052  0.573679  1
  Ti  Ti135  1  0.491259  0.050719  0.573679  1
  Ti  Ti136  1  0.843858  0.424616  0.608704  1
  Ti  Ti137  1  0.177191  0.091283  0.608704  1
  Ti  Ti138  1  0.122105  0.376758  0.633169  1
  Ti  Ti139  1  0.510524  0.757949  0.608704  1
  Ti  Ti140  1  0.455439  0.043424  0.633169  1
  Ti  Ti141  1  0.404203  0.330110  0.655666  1
  Ti  Ti142  1  0.788772  0.710091  0.633169  1
  Ti  Ti143  1  0.737536  0.996777  0.655666  1
  Ti  Ti144  1  0.070869  0.663444  0.655666  1
  Ti  Ti145  1  0.809852  0.416438  0.667737  1
  Ti  Ti146  1  0.143185  0.083105  0.667737  1
  Ti  Ti147  1  0.252750  0.501882  0.626311  1
  Ti  Ti148  1  0.476519  0.749772  0.667737  1
  Ti  Ti149  1  0.586084  0.168549  0.626311  1
  Ti  Ti150  1  0.524928  0.467027  0.643641  1
  Ti  Ti151  1  0.919417  0.835216  0.626311  1
  Ti  Ti152  1  0.858261  0.133693  0.643641  1
  Ti  Ti153  1  0.191594  0.800360  0.643641  1
  Ti  Ti154  1  0.939761  0.542552  0.661566  1
  Ti  Ti155  1  0.273095  0.209219  0.661566  1
  Ti  Ti156  1  0.377003  0.637445  0.613297  1
  Ti  Ti157  1  0.606428  0.875885  0.661566  1
  Ti  Ti158  1  0.710337  0.304112  0.613297  1
  Ti  Ti159  1  0.657972  0.586626  0.639721  1
  Ti  Ti160  1  0.043670  0.970779  0.613297  1
  Ti  Ti161  1  0.991305  0.253293  0.639721  1
  Ti  Ti162  1  0.324638  0.919960  0.639721  1
  Ti  Ti163  1  0.675206  0.297254  0.671771  1
  Ti  Ti164  1  1.008539  0.963921  0.671771  1
  Ti  Ti165  1  0.954222  0.243801  0.699747  1
  Ti  Ti166  1  0.341873  0.630587  0.671771  1
  Ti  Ti167  1  0.287555  0.910467  0.699747  1
  Ti  Ti168  1  0.241013  0.204219  0.719698  1
  Ti  Ti169  1  0.620888  0.577134  0.699747  1
  Ti  Ti170  1  0.574346  0.870886  0.719698  1
  Ti  Ti171  1  0.907679  0.537552  0.719698  1
  Ti  Ti172  1  0.644682  0.287765  0.729080  1
  Ti  Ti173  1  0.978016  0.954431  0.729080  1
  Ti  Ti174  1  0.085173  0.365576  0.692787  1
  Ti  Ti175  1  0.311349  0.621098  0.729080  1
  Ti  Ti176  1  0.418507  0.032243  0.692787  1
  Ti  Ti177  1  0.374884  0.317086  0.714974  1
  Ti  Ti178  1  0.751840  0.698909  0.692787  1
  Ti  Ti179  1  0.708217  0.983752  0.714974  1
  Ti  Ti180  1  0.041551  0.650419  0.714974  1
  Ti  Ti181  1  0.776851  0.414531  0.725913  1
  Ti  Ti182  1  0.110184  0.081198  0.725913  1
  Ti  Ti183  1  0.219173  0.491778  0.687644  1
  Ti  Ti184  1  0.443518  0.747864  0.725913  1
  Ti  Ti185  1  0.552506  0.158445  0.687644  1
  Ti  Ti186  1  0.488195  0.462841  0.703089  1
  Ti  Ti187  1  0.885839  0.825112  0.687644  1
  Ti  Ti188  1  0.821529  0.129508  0.703089  1
  Ti  Ti189  1  0.154862  0.796174  0.703089  1
