# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.32674702
_cell_length_b   10.31334982
_cell_length_c   47.50737622
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti126
_cell_volume   5034.3328907
_cell_formula_units_Z   126
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  0.940646  0.275627  0.291456  1
  Ti  Ti2  1  0.273979  0.942294  0.291456  1
  Ti  Ti3  1  0.219173  0.220862  0.308313  1
  Ti  Ti4  1  0.607312  0.608961  0.291456  1
  Ti  Ti5  1  0.552507  0.887529  0.308313  1
  Ti  Ti6  1  0.515286  0.183367  0.323661  1
  Ti  Ti7  1  0.885840  0.554195  0.308313  1
  Ti  Ti8  1  0.848619  0.850033  0.323661  1
  Ti  Ti9  1  0.181953  0.516700  0.323661  1
  Ti  Ti10  1  0.014759  0.349689  0.341200  1
  Ti  Ti11  1  0.348092  0.016356  0.341200  1
  Ti  Ti12  1  0.419831  0.421348  0.299830  1
  Ti  Ti13  1  0.681425  0.683023  0.341200  1
  Ti  Ti14  1  0.753165  0.088015  0.299830  1
  Ti  Ti15  1  0.699491  0.367695  0.315987  1
  Ti  Ti16  1  0.086498  0.754682  0.299830  1
  Ti  Ti17  1  0.032824  0.034362  0.315987  1
  Ti  Ti18  1  0.366158  0.701029  0.315987  1
  Ti  Ti19  1  0.838367  0.173185  0.349163  1
  Ti  Ti20  1  0.171701  0.839851  0.349163  1
  Ti  Ti21  1  0.134208  0.135678  0.367835  1
  Ti  Ti22  1  0.505034  0.506518  0.349163  1
  Ti  Ti23  1  0.467541  0.802344  0.367835  1
  Ti  Ti24  1  0.439527  0.107505  0.390915  1
  Ti  Ti25  1  0.800875  0.469011  0.367835  1
  Ti  Ti26  1  0.772860  0.774171  0.390915  1
  Ti  Ti27  1  0.106193  0.440838  0.390915  1
  Ti  Ti28  1  0.924202  0.258894  0.401428  1
  Ti  Ti29  1  0.257536  0.925561  0.401428  1
  Ti  Ti30  1  0.321967  0.323372  0.358189  1
  Ti  Ti31  1  0.590869  0.592227  0.401428  1
  Ti  Ti32  1  0.655301  0.990039  0.358189  1
  Ti  Ti33  1  0.615115  0.283148  0.376332  1
  Ti  Ti34  1  0.988634  0.656705  0.358189  1
  Ti  Ti35  1  0.948449  0.949814  0.376332  1
  Ti  Ti36  1  0.281782  0.616481  0.376332  1
  Ti  Ti37  1  0.741650  0.076264  0.411611  1
  Ti  Ti38  1  0.074983  0.742931  0.411611  1
  Ti  Ti39  1  0.038224  0.039462  0.430328  1
  Ti  Ti40  1  0.408316  0.409598  0.411611  1
  Ti  Ti41  1  0.371558  0.706129  0.430328  1
  Ti  Ti42  1  0.346336  0.014139  0.453427  1
  Ti  Ti43  1  0.704891  0.372795  0.430328  1
  Ti  Ti44  1  0.679670  0.680805  0.453427  1
  Ti  Ti45  1  0.013003  0.347472  0.453427  1
  Ti  Ti46  1  0.831635  0.166111  0.464381  1
  Ti  Ti47  1  0.164969  0.832778  0.464381  1
  Ti  Ti48  1  0.222908  0.224128  0.421022  1
  Ti  Ti49  1  0.498302  0.499444  0.464381  1
  Ti  Ti50  1  0.556242  0.890794  0.421022  1
  Ti  Ti51  1  0.526843  0.194685  0.442826  1
  Ti  Ti52  1  0.889575  0.557461  0.421022  1
  Ti  Ti53  1  0.860177  0.861352  0.442826  1
  Ti  Ti54  1  0.193510  0.528018  0.442826  1
  Ti  Ti55  1  0.646959  0.981364  0.473814  1
  Ti  Ti56  1  0.980292  0.648031  0.473814  1
  Ti  Ti57  1  0.948857  0.949889  0.494882  1
  Ti  Ti58  1  0.313625  0.314697  0.473814  1
  Ti  Ti59  1  0.282190  0.616556  0.494882  1
  Ti  Ti60  1  0.254638  0.922266  0.517164  1
  Ti  Ti61  1  0.615523  0.283222  0.494882  1
  Ti  Ti62  1  0.587971  0.588933  0.517164  1
  Ti  Ti63  1  0.921304  0.255599  0.517164  1
  Ti  Ti64  1  0.736796  0.071060  0.526646  1
  Ti  Ti65  1  0.070129  0.737726  0.526646  1
  Ti  Ti66  1  0.129117  0.130158  0.483296  1
  Ti  Ti67  1  0.403463  0.404393  0.526646  1
  Ti  Ti68  1  0.462450  0.796824  0.483296  1
  Ti  Ti69  1  0.434898  0.102535  0.505579  1
  Ti  Ti70  1  0.795784  0.463491  0.483296  1
  Ti  Ti71  1  0.768231  0.769201  0.505579  1
  Ti  Ti72  1  0.101565  0.435868  0.505579  1
  Ti  Ti73  1  0.552119  0.886313  0.536079  1
  Ti  Ti74  1  0.885453  0.552979  0.536079  1
  Ti  Ti75  1  0.856911  0.857739  0.557634  1
  Ti  Ti76  1  0.218786  0.219646  0.536079  1
  Ti  Ti77  1  0.190245  0.524405  0.557634  1
  Ti  Ti78  1  0.160846  0.828296  0.579438  1
  Ti  Ti79  1  0.523578  0.191072  0.557634  1
  Ti  Ti80  1  0.494180  0.494963  0.579438  1
  Ti  Ti81  1  0.827513  0.161629  0.579438  1
  Ti  Ti82  1  0.642105  0.976159  0.588849  1
  Ti  Ti83  1  0.975438  0.642826  0.588849  1
  Ti  Ti84  1  0.037418  0.038285  0.547033  1
  Ti  Ti85  1  0.308771  0.309493  0.588849  1
  Ti  Ti86  1  0.370752  0.704951  0.547033  1
  Ti  Ti87  1  0.345530  0.012961  0.570132  1
  Ti  Ti88  1  0.704085  0.371618  0.547033  1
  Ti  Ti89  1  0.678863  0.679628  0.570132  1
  Ti  Ti90  1  0.012197  0.346295  0.570132  1
  Ti  Ti91  1  0.459552  0.793530  0.599032  1
  Ti  Ti92  1  0.792886  0.460196  0.599032  1
  Ti  Ti93  1  0.768639  0.769276  0.624128  1
  Ti  Ti94  1  0.126219  0.126863  0.599032  1
  Ti  Ti95  1  0.101973  0.435942  0.624128  1
  Ti  Ti96  1  0.061787  0.729052  0.642271  1
  Ti  Ti97  1  0.435306  0.102609  0.624128  1
  Ti  Ti98  1  0.395121  0.395718  0.642271  1
  Ti  Ti99  1  0.728454  0.062385  0.642271  1
  Ti  Ti100  1  0.545387  0.879239  0.651298  1
  Ti  Ti101  1  0.878720  0.545905  0.651298  1
  Ti  Ti102  1  0.944228  0.944919  0.609545  1
  Ti  Ti103  1  0.212054  0.212572  0.651298  1
  Ti  Ti104  1  0.277561  0.611586  0.609545  1
  Ti  Ti105  1  0.249547  0.916746  0.632625  1
  Ti  Ti106  1  0.610895  0.278252  0.609545  1
  Ti  Ti107  1  0.582880  0.583413  0.632625  1
  Ti  Ti108  1  0.916213  0.250079  0.632625  1
  Ti  Ti109  1  0.368996  0.702734  0.659260  1
  Ti  Ti110  1  0.702329  0.369401  0.659260  1
  Ti  Ti111  1  0.684264  0.684728  0.684473  1
  Ti  Ti112  1  0.035663  0.036068  0.659260  1
  Ti  Ti113  1  0.017597  0.351395  0.684473  1
  Ti  Ti114  1  0.963923  0.631075  0.700630  1
  Ti  Ti115  1  0.350930  0.018062  0.684473  1
  Ti  Ti116  1  0.297257  0.297742  0.700630  1
  Ti  Ti117  1  0.630590  0.964409  0.700630  1
  Ti  Ti118  1  0.443109  0.776796  0.709004  1
  Ti  Ti119  1  0.776442  0.443463  0.709004  1
  Ti  Ti120  1  0.868469  0.869057  0.676800  1
  Ti  Ti121  1  0.109776  0.110130  0.709004  1
  Ti  Ti122  1  0.201802  0.535724  0.676800  1
  Ti  Ti123  1  0.164581  0.831562  0.692148  1
  Ti  Ti124  1  0.535135  0.202390  0.676800  1
  Ti  Ti125  1  0.497915  0.498228  0.692148  1
  Ti  Ti126  1  0.831248  0.164895  0.692148  1
