# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.79714770
_cell_length_b   11.79465315
_cell_length_c   47.61921728
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti162
_cell_volume   6304.44421961
_cell_formula_units_Z   162
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  0.557946  0.892121  0.328295  1
  Ti  Ti2  1  0.015359  0.691019  0.284308  1
  Ti  Ti3  1  0.952826  0.929922  0.309969  1
  Ti  Ti4  1  0.313500  0.988961  0.298768  1
  Ti  Ti5  1  0.654701  0.647753  0.298778  1
  Ti  Ti6  1  0.977319  0.311590  0.294858  1
  Ti  Ti7  1  0.356771  0.349611  0.284312  1
  Ti  Ti8  1  0.262891  0.597089  0.309252  1
  Ti  Ti9  1  0.595664  0.287067  0.309961  1
  Ti  Ti10  1  0.828908  0.163187  0.292442  1
  Ti  Ti11  1  0.179631  0.827292  0.288374  1
  Ti  Ti12  1  0.079729  0.090950  0.318467  1
  Ti  Ti13  1  0.482567  0.116124  0.302931  1
  Ti  Ti14  1  0.781906  0.816815  0.302923  1
  Ti  Ti15  1  0.119972  0.454211  0.302844  1
  Ti  Ti16  1  0.493052  0.513887  0.288369  1
  Ti  Ti17  1  0.412551  0.746813  0.316562  1
  Ti  Ti18  1  0.756714  0.413924  0.318470  1
  Ti  Ti19  1  0.449006  0.783168  0.375541  1
  Ti  Ti20  1  0.894202  0.579161  0.324606  1
  Ti  Ti21  1  0.820232  0.823811  0.359736  1
  Ti  Ti22  1  0.197209  0.866536  0.344234  1
  Ti  Ti23  1  0.532327  0.531442  0.344231  1
  Ti  Ti24  1  0.861961  0.196136  0.347072  1
  Ti  Ti25  1  0.244943  0.228442  0.324613  1
  Ti  Ti26  1  0.153514  0.487680  0.359672  1
  Ti  Ti27  1  0.489613  0.154408  0.359744  1
  Ti  Ti28  1  0.715104  0.049347  0.332997  1
  Ti  Ti29  1  0.051457  0.716061  0.338860  1
  Ti  Ti30  1  0.969255  0.966740  0.368006  1
  Ti  Ti31  1  0.339820  0.012825  0.354693  1
  Ti  Ti32  1  0.678656  0.674004  0.354701  1
  Ti  Ti33  1  0.010240  0.344449  0.350751  1
  Ti  Ti34  1  0.381880  0.385659  0.338864  1
  Ti  Ti35  1  0.301366  0.635544  0.367593  1
  Ti  Ti36  1  0.632566  0.303430  0.367997  1
  Ti  Ti37  1  0.330253  0.664364  0.427202  1
  Ti  Ti38  1  0.785400  0.446158  0.376798  1
  Ti  Ti39  1  0.706111  0.706076  0.412143  1
  Ti  Ti40  1  0.078966  0.745940  0.396186  1
  Ti  Ti41  1  0.411799  0.413114  0.396187  1
  Ti  Ti42  1  0.744601  0.078762  0.393176  1
  Ti  Ti43  1  0.112003  0.119568  0.376795  1
  Ti  Ti44  1  0.037162  0.371303  0.410452  1
  Ti  Ti45  1  0.371948  0.040237  0.412137  1
  Ti  Ti46  1  0.597129  0.931272  0.385802  1
  Ti  Ti47  1  0.929625  0.598132  0.384898  1
  Ti  Ti48  1  0.850116  0.853486  0.418724  1
  Ti  Ti49  1  0.226063  0.893145  0.402822  1
  Ti  Ti50  1  0.559005  0.560205  0.402820  1
  Ti  Ti51  1  0.891050  0.225181  0.404633  1
  Ti  Ti52  1  0.263969  0.263787  0.384903  1
  Ti  Ti53  1  0.183133  0.517255  0.418214  1
  Ti  Ti54  1  0.519359  0.184240  0.418729  1
  Ti  Ti55  1  0.212695  0.546761  0.476908  1
  Ti  Ti56  1  0.663170  0.333400  0.426962  1
  Ti  Ti57  1  0.586507  0.589345  0.461545  1
  Ti  Ti58  1  0.959463  0.627607  0.444134  1
  Ti  Ti59  1  0.293506  0.293568  0.444136  1
  Ti  Ti60  1  0.625096  0.959189  0.444895  1
  Ti  Ti61  1  0.999288  0.997285  0.426967  1
  Ti  Ti62  1  0.920189  0.254266  0.462659  1
  Ti  Ti63  1  0.255257  0.920591  0.461547  1
  Ti  Ti64  1  0.477673  0.811785  0.434672  1
  Ti  Ti65  1  0.812272  0.478873  0.435949  1
  Ti  Ti66  1  0.735259  0.733609  0.470435  1
  Ti  Ti67  1  0.106974  0.775096  0.454283  1
  Ti  Ti68  1  0.441012  0.441061  0.454285  1
  Ti  Ti69  1  0.773126  0.107222  0.452163  1
  Ti  Ti70  1  0.144772  0.146381  0.435947  1
  Ti  Ti71  1  0.066601  0.400677  0.469136  1
  Ti  Ti72  1  0.399533  0.069334  0.470431  1
  Ti  Ti73  1  0.095406  0.429424  0.527854  1
  Ti  Ti74  1  0.548116  0.213123  0.477627  1
  Ti  Ti75  1  0.470032  0.469462  0.512740  1
  Ti  Ti76  1  0.841846  0.507290  0.494913  1
  Ti  Ti77  1  0.173244  0.175895  0.494912  1
  Ti  Ti78  1  0.507001  0.841060  0.493346  1
  Ti  Ti79  1  0.879061  0.882181  0.477624  1
  Ti  Ti80  1  0.802201  0.136241  0.510954  1
  Ti  Ti81  1  0.135430  0.804063  0.512738  1
  Ti  Ti82  1  0.359503  0.693558  0.486337  1
  Ti  Ti83  1  0.692546  0.362303  0.485623  1
  Ti  Ti84  1  0.615575  0.618223  0.520268  1
  Ti  Ti85  1  0.988675  0.656220  0.503064  1
  Ti  Ti86  1  0.322176  0.322721  0.503064  1
  Ti  Ti87  1  0.654228  0.988262  0.503770  1
  Ti  Ti88  1  0.028243  0.026606  0.485627  1
  Ti  Ti89  1  0.948952  0.282975  0.521314  1
  Ti  Ti90  1  0.284193  0.949603  0.520271  1
  Ti  Ti91  1  0.978102  0.312069  0.580114  1
  Ti  Ti92  1  0.428404  0.098290  0.528917  1
  Ti  Ti93  1  0.351194  0.351869  0.561920  1
  Ti  Ti94  1  0.721348  0.391056  0.544079  1
  Ti  Ti95  1  0.057049  0.055353  0.544082  1
  Ti  Ti96  1  0.388568  0.722565  0.545165  1
  Ti  Ti97  1  0.764274  0.762419  0.528921  1
  Ti  Ti98  1  0.683102  0.017082  0.562718  1
  Ti  Ti99  1  0.017879  0.685183  0.561921  1
  Ti  Ti100  1  0.241648  0.575660  0.535490  1
  Ti  Ti101  1  0.577203  0.241912  0.536428  1
  Ti  Ti102  1  0.499229  0.498668  0.571509  1
  Ti  Ti103  1  0.870635  0.536454  0.553895  1
  Ti  Ti104  1  0.202466  0.204625  0.553895  1
  Ti  Ti105  1  0.535810  0.869808  0.551734  1
  Ti  Ti106  1  0.907904  0.911212  0.536425  1
  Ti  Ti107  1  0.831116  0.165101  0.569815  1
  Ti  Ti108  1  0.164693  0.833207  0.571507  1
  Ti  Ti109  1  0.860773  0.194684  0.628722  1
  Ti  Ti110  1  0.313803  0.978258  0.579178  1
  Ti  Ti111  1  0.231765  0.233152  0.613199  1
  Ti  Ti112  1  0.605429  0.271065  0.595112  1
  Ti  Ti113  1  0.937115  0.939383  0.595109  1
  Ti  Ti114  1  0.270261  0.604221  0.593691  1
  Ti  Ti115  1  0.644289  0.647771  0.579174  1
  Ti  Ti116  1  0.564439  0.898390  0.609692  1
  Ti  Ti117  1  0.899222  0.565696  0.613199  1
  Ti  Ti118  1  0.124127  0.458085  0.586486  1
  Ti  Ti119  1  0.457101  0.127477  0.587481  1
  Ti  Ti120  1  0.379256  0.382126  0.620906  1
  Ti  Ti121  1  0.750129  0.419594  0.602134  1
  Ti  Ti122  1  0.085652  0.084075  0.602136  1
  Ti  Ti123  1  0.416928  0.750866  0.604135  1
  Ti  Ti124  1  0.793513  0.791063  0.587486  1
  Ti  Ti125  1  0.712301  0.046222  0.622026  1
  Ti  Ti126  1  0.048191  0.713192  0.620909  1
  Ti  Ti127  1  0.741347  0.075203  0.682443  1
  Ti  Ti128  1  0.192739  0.864136  0.630798  1
  Ti  Ti129  1  0.115329  0.112656  0.659635  1
  Ti  Ti130  1  0.485433  0.158714  0.645902  1
  Ti  Ti131  1  0.824796  0.819338  0.645908  1
  Ti  Ti132  1  0.152463  0.486360  0.645194  1
  Ti  Ti133  1  0.530212  0.526654  0.630800  1
  Ti  Ti134  1  0.444027  0.777893  0.663688  1
  Ti  Ti135  1  0.778771  0.449232  0.659631  1
  Ti  Ti136  1  0.007726  0.341634  0.639076  1
  Ti  Ti137  1  0.345128  0.006315  0.638303  1
  Ti  Ti138  1  0.262268  0.260903  0.673259  1
  Ti  Ti139  1  0.635887  0.297725  0.653677  1
  Ti  Ti140  1  0.963839  0.969759  0.653675  1
  Ti  Ti141  1  0.299118  0.633028  0.651128  1
  Ti  Ti142  1  0.672398  0.679044  0.638296  1
  Ti  Ti143  1  0.595377  0.929279  0.666689  1
  Ti  Ti144  1  0.927034  0.596144  0.673257  1
  Ti  Ti145  1  0.624786  0.958632  0.721712  1
  Ti  Ti146  1  0.084013  0.744343  0.679042  1
  Ti  Ti147  1  0.982163  0.004634  0.709554  1
  Ti  Ti148  1  0.383229  0.027575  0.696017  1
  Ti  Ti149  1  0.693741  0.717087  0.696009  1
  Ti  Ti150  1  0.035847  0.369723  0.696411  1
  Ti  Ti151  1  0.410484  0.417891  0.679036  1
  Ti  Ti152  1  0.329751  0.663568  0.706677  1
  Ti  Ti153  1  0.670777  0.315974  0.709560  1
  Ti  Ti154  1  0.894577  0.228471  0.686556  1
  Ti  Ti155  1  0.218604  0.900375  0.689756  1
  Ti  Ti156  1  0.148036  0.138355  0.714513  1
  Ti  Ti157  1  0.504317  0.191944  0.702608  1
  Ti  Ti158  1  0.858095  0.838174  0.702614  1
  Ti  Ti159  1  0.180514  0.514318  0.701106  1
  Ti  Ti160  1  0.566533  0.552449  0.689760  1
  Ti  Ti161  1  0.474204  0.807990  0.719934  1
  Ti  Ti162  1  0.804482  0.481864  0.714512  1
