# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.03613810
_cell_length_b   12.61890438
_cell_length_c   46.60048040
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.35399819
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti180
_cell_volume   7291.68323385
_cell_formula_units_Z   180
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  0.315137  0.143173  0.299895  1
  Ti  Ti2  1  0.815137  0.143173  0.299895  1
  Ti  Ti3  1  0.748885  0.532858  0.292582  1
  Ti  Ti4  1  0.248885  0.532858  0.292582  1
  Ti  Ti5  1  0.965185  0.619217  0.299719  1
  Ti  Ti6  1  0.465185  0.619217  0.299719  1
  Ti  Ti7  1  0.389775  0.980874  0.285558  1
  Ti  Ti8  1  0.889775  0.980874  0.285558  1
  Ti  Ti9  1  0.190476  0.715875  0.308659  1
  Ti  Ti10  1  0.690476  0.715875  0.308659  1
  Ti  Ti11  1  0.602753  0.067145  0.293200  1
  Ti  Ti12  1  0.102753  0.067145  0.293200  1
  Ti  Ti13  1  0.452633  0.406226  0.325986  1
  Ti  Ti14  1  0.952633  0.406226  0.325986  1
  Ti  Ti15  1  0.905276  0.799938  0.317112  1
  Ti  Ti16  1  0.405276  0.799938  0.317112  1
  Ti  Ti17  1  0.116890  0.883807  0.324893  1
  Ti  Ti18  1  0.616890  0.883807  0.324893  1
  Ti  Ti19  1  0.537198  0.249330  0.311387  1
  Ti  Ti20  1  0.037198  0.249330  0.311387  1
  Ti  Ti21  1  0.323865  0.981115  0.339513  1
  Ti  Ti22  1  0.823865  0.981115  0.339513  1
  Ti  Ti23  1  0.746909  0.326616  0.319274  1
  Ti  Ti24  1  0.246909  0.326616  0.319274  1
  Ti  Ti25  1  0.566770  0.659105  0.358114  1
  Ti  Ti26  1  0.066770  0.659105  0.358114  1
  Ti  Ti27  1  0.027669  0.057155  0.347256  1
  Ti  Ti28  1  0.527669  0.057155  0.347256  1
  Ti  Ti29  1  0.239052  0.139328  0.355231  1
  Ti  Ti30  1  0.739052  0.139328  0.355231  1
  Ti  Ti31  1  0.652073  0.498955  0.344039  1
  Ti  Ti32  1  0.152073  0.498955  0.344039  1
  Ti  Ti33  1  0.453945  0.238518  0.366844  1
  Ti  Ti34  1  0.953945  0.238518  0.366844  1
  Ti  Ti35  1  0.856169  0.575395  0.350027  1
  Ti  Ti36  1  0.356169  0.575395  0.350027  1
  Ti  Ti37  1  0.697683  0.916958  0.387692  1
  Ti  Ti38  1  0.197683  0.916958  0.387692  1
  Ti  Ti39  1  0.161532  0.313034  0.374929  1
  Ti  Ti40  1  0.661532  0.313034  0.374929  1
  Ti  Ti41  1  0.371904  0.398913  0.383114  1
  Ti  Ti42  1  0.871904  0.398913  0.383114  1
  Ti  Ti43  1  0.784075  0.757119  0.368536  1
  Ti  Ti44  1  0.284075  0.757119  0.368536  1
  Ti  Ti45  1  0.579695  0.496359  0.397718  1
  Ti  Ti46  1  0.079695  0.496359  0.397718  1
  Ti  Ti47  1  0.992188  0.832290  0.376165  1
  Ti  Ti48  1  0.492188  0.832290  0.376165  1
  Ti  Ti49  1  0.829185  0.176932  0.416472  1
  Ti  Ti50  1  0.329185  0.176932  0.416472  1
  Ti  Ti51  1  0.286651  0.573523  0.405154  1
  Ti  Ti52  1  0.786651  0.573523  0.405154  1
  Ti  Ti53  1  0.499113  0.658462  0.414638  1
  Ti  Ti54  1  0.999113  0.658462  0.414638  1
  Ti  Ti55  1  0.911129  0.011561  0.398412  1
  Ti  Ti56  1  0.411129  0.011561  0.398412  1
  Ti  Ti57  1  0.714364  0.753265  0.425371  1
  Ti  Ti58  1  0.214364  0.753265  0.425371  1
  Ti  Ti59  1  0.119080  0.086626  0.406058  1
  Ti  Ti60  1  0.619080  0.086626  0.406058  1
  Ti  Ti61  1  0.956382  0.433107  0.446529  1
  Ti  Ti62  1  0.456382  0.433107  0.446529  1
  Ti  Ti63  1  0.423754  0.832226  0.433265  1
  Ti  Ti64  1  0.923754  0.832226  0.433265  1
  Ti  Ti65  1  0.633698  0.919212  0.444205  1
  Ti  Ti66  1  0.133698  0.919212  0.444205  1
  Ti  Ti67  1  0.042039  0.268383  0.426462  1
  Ti  Ti68  1  0.542039  0.268383  0.426462  1
  Ti  Ti69  1  0.843904  0.010136  0.454708  1
  Ti  Ti70  1  0.343904  0.010136  0.454708  1
  Ti  Ti71  1  0.249834  0.345883  0.434398  1
  Ti  Ti72  1  0.749834  0.345883  0.434398  1
  Ti  Ti73  1  0.089252  0.691828  0.475291  1
  Ti  Ti74  1  0.589252  0.691828  0.475291  1
  Ti  Ti75  1  0.553459  0.091058  0.462745  1
  Ti  Ti76  1  0.053459  0.091058  0.462745  1
  Ti  Ti77  1  0.763995  0.178446  0.473528  1
  Ti  Ti78  1  0.263995  0.178446  0.473528  1
  Ti  Ti79  1  0.168342  0.522469  0.456136  1
  Ti  Ti80  1  0.668342  0.522469  0.456136  1
  Ti  Ti81  1  0.974541  0.265523  0.483521  1
  Ti  Ti82  1  0.474541  0.265523  0.483521  1
  Ti  Ti83  1  0.377838  0.603140  0.464643  1
  Ti  Ti84  1  0.877838  0.603140  0.464643  1
  Ti  Ti85  1  0.220058  0.950978  0.505028  1
  Ti  Ti86  1  0.720058  0.950978  0.505028  1
  Ti  Ti87  1  0.685301  0.349130  0.491893  1
  Ti  Ti88  1  0.185301  0.349130  0.491893  1
  Ti  Ti89  1  0.895162  0.437383  0.503314  1
  Ti  Ti90  1  0.395162  0.437383  0.503314  1
  Ti  Ti91  1  0.301340  0.778951  0.484036  1
  Ti  Ti92  1  0.801340  0.778951  0.484036  1
  Ti  Ti93  1  0.104018  0.521158  0.512885  1
  Ti  Ti94  1  0.604018  0.521158  0.512885  1
  Ti  Ti95  1  0.510197  0.862726  0.493607  1
  Ti  Ti96  1  0.010197  0.862726  0.493607  1
  Ti  Ti97  1  0.351900  0.209050  0.534176  1
  Ti  Ti98  1  0.851900  0.209050  0.534176  1
  Ti  Ti99  1  0.816107  0.608281  0.521630  1
  Ti  Ti100  1  0.316107  0.608281  0.521630  1
  Ti  Ti101  1  0.027521  0.696969  0.532278  1
  Ti  Ti102  1  0.527521  0.696969  0.532278  1
  Ti  Ti103  1  0.430817  0.034586  0.513400  1
  Ti  Ti104  1  0.930817  0.034586  0.513400  1
  Ti  Ti105  1  0.237017  0.777640  0.540785  1
  Ti  Ti106  1  0.737017  0.777640  0.540785  1
  Ti  Ti107  1  0.641363  0.121663  0.523393  1
  Ti  Ti108  1  0.141363  0.121663  0.523393  1
  Ti  Ti109  1  0.481605  0.467882  0.563656  1
  Ti  Ti110  1  0.981605  0.467882  0.563656  1
  Ti  Ti111  1  0.948977  0.867002  0.550391  1
  Ti  Ti112  1  0.448977  0.867002  0.550391  1
  Ti  Ti113  1  0.155524  0.954226  0.562523  1
  Ti  Ti114  1  0.655524  0.954226  0.562523  1
  Ti  Ti115  1  0.561454  0.289973  0.542213  1
  Ti  Ti116  1  0.061454  0.289973  0.542213  1
  Ti  Ti117  1  0.363319  0.031726  0.570459  1
  Ti  Ti118  1  0.863319  0.031726  0.570459  1
  Ti  Ti119  1  0.771660  0.380897  0.552716  1
  Ti  Ti120  1  0.271660  0.380897  0.552716  1
  Ti  Ti121  1  0.618708  0.726586  0.591767  1
  Ti  Ti122  1  0.118708  0.726586  0.591767  1
  Ti  Ti123  1  0.076174  0.123177  0.580449  1
  Ti  Ti124  1  0.576174  0.123177  0.580449  1
  Ti  Ti125  1  0.286279  0.213482  0.590863  1
  Ti  Ti126  1  0.786279  0.213482  0.590863  1
  Ti  Ti127  1  0.690995  0.546844  0.571550  1
  Ti  Ti128  1  0.190995  0.546844  0.571550  1
  Ti  Ti129  1  0.494229  0.288548  0.598509  1
  Ti  Ti130  1  0.994229  0.288548  0.598509  1
  Ti  Ti131  1  0.906245  0.641647  0.582283  1
  Ti  Ti132  1  0.406245  0.641647  0.582283  1
  Ti  Ti133  1  0.743827  0.987074  0.621992  1
  Ti  Ti134  1  0.243827  0.987074  0.621992  1
  Ti  Ti135  1  0.207676  0.383150  0.609228  1
  Ti  Ti136  1  0.707676  0.383150  0.609228  1
  Ti  Ti137  1  0.413171  0.467819  0.620756  1
  Ti  Ti138  1  0.913171  0.467819  0.620756  1
  Ti  Ti139  1  0.825664  0.803750  0.599203  1
  Ti  Ti140  1  0.325664  0.803750  0.599203  1
  Ti  Ti141  1  0.621283  0.542990  0.628385  1
  Ti  Ti142  1  0.121283  0.542990  0.628385  1
  Ti  Ti143  1  0.033455  0.901195  0.613807  1
  Ti  Ti144  1  0.533455  0.901195  0.613807  1
  Ti  Ti145  1  0.877689  0.242954  0.649665  1
  Ti  Ti146  1  0.377689  0.242954  0.649665  1
  Ti  Ti147  1  0.338588  0.641004  0.638807  1
  Ti  Ti148  1  0.838588  0.641004  0.638807  1
  Ti  Ti149  1  0.549190  0.724713  0.646894  1
  Ti  Ti150  1  0.049190  0.724713  0.646894  1
  Ti  Ti151  1  0.951413  0.061591  0.630077  1
  Ti  Ti152  1  0.451413  0.061591  0.630077  1
  Ti  Ti153  1  0.753286  0.801153  0.652882  1
  Ti  Ti154  1  0.253286  0.801153  0.652882  1
  Ti  Ti155  1  0.166306  0.160781  0.641690  1
  Ti  Ti156  1  0.666306  0.160781  0.641690  1
  Ti  Ti157  1  1.000082  0.500171  0.679809  1
  Ti  Ti158  1  0.500082  0.500171  0.679809  1
  Ti  Ti159  1  0.452726  0.893883  0.670935  1
  Ti  Ti160  1  0.952726  0.893883  0.670935  1
  Ti  Ti161  1  0.658450  0.973492  0.677647  1
  Ti  Ti162  1  0.158450  0.973492  0.677647  1
  Ti  Ti163  1  0.081494  0.318994  0.657408  1
  Ti  Ti164  1  0.581494  0.318994  0.657408  1
  Ti  Ti165  1  0.868160  0.050778  0.685534  1
  Ti  Ti166  1  0.368160  0.050778  0.685534  1
  Ti  Ti167  1  0.288469  0.416301  0.672028  1
  Ti  Ti168  1  0.788469  0.416301  0.672028  1
  Ti  Ti169  1  0.156473  0.767250  0.704339  1
  Ti  Ti170  1  0.656473  0.767250  0.704339  1
  Ti  Ti171  1  0.590222  0.156936  0.697026  1
  Ti  Ti172  1  0.090222  0.156936  0.697026  1
  Ti  Ti173  1  0.802606  0.232964  0.703721  1
  Ti  Ti174  1  0.302606  0.232964  0.703721  1
  Ti  Ti175  1  0.214883  0.584233  0.688262  1
  Ti  Ti176  1  0.714883  0.584233  0.688262  1
  Ti  Ti177  1  0.015584  0.319235  0.711363  1
  Ti  Ti178  1  0.515584  0.319235  0.711363  1
  Ti  Ti179  1  0.440174  0.680892  0.697202  1
  Ti  Ti180  1  0.940174  0.680892  0.697202  1
