# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.04048458
_cell_length_b   13.03717705
_cell_length_c   48.81798346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti216
_cell_volume   8257.9971132
_cell_formula_units_Z   216
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  0.007974  0.508553  0.282002  1
  Ti  Ti2  1  0.341308  0.175219  0.282002  1
  Ti  Ti3  1  0.309453  0.476650  0.305083  1
  Ti  Ti4  1  0.674641  0.841886  0.282002  1
  Ti  Ti5  1  0.642786  0.143317  0.305083  1
  Ti  Ti6  1  0.612458  0.446334  0.332092  1
  Ti  Ti7  1  0.976119  0.809984  0.305083  1
  Ti  Ti8  1  0.945791  0.113001  0.332092  1
  Ti  Ti9  1  0.279124  0.779668  0.332092  1
  Ti  Ti10  1  0.174641  0.341886  0.282002  1
  Ti  Ti11  1  0.507974  0.008553  0.282002  1
  Ti  Ti12  1  0.476119  0.309984  0.305083  1
  Ti  Ti13  1  0.841308  0.675219  0.282002  1
  Ti  Ti14  1  0.809453  0.976650  0.305083  1
  Ti  Ti15  1  0.779124  0.279668  0.332092  1
  Ti  Ti16  1  0.142786  0.643317  0.305083  1
  Ti  Ti17  1  0.112458  0.946334  0.332092  1
  Ti  Ti18  1  0.445791  0.613001  0.332092  1
  Ti  Ti19  1  0.976119  0.309984  0.305083  1
  Ti  Ti20  1  0.309453  0.976650  0.305083  1
  Ti  Ti21  1  0.279124  0.279668  0.332092  1
  Ti  Ti22  1  0.642786  0.643317  0.305083  1
  Ti  Ti23  1  0.612458  0.946334  0.332092  1
  Ti  Ti24  1  0.674641  0.341886  0.282002  1
  Ti  Ti25  1  0.945791  0.613001  0.332092  1
  Ti  Ti26  1  0.007974  0.008553  0.282002  1
  Ti  Ti27  1  0.341308  0.675219  0.282002  1
  Ti  Ti28  1  0.112458  0.446334  0.332092  1
  Ti  Ti29  1  0.445791  0.113001  0.332092  1
  Ti  Ti30  1  0.507974  0.508553  0.282002  1
  Ti  Ti31  1  0.779124  0.779668  0.332092  1
  Ti  Ti32  1  0.841308  0.175219  0.282002  1
  Ti  Ti33  1  0.809453  0.476650  0.305083  1
  Ti  Ti34  1  0.174641  0.841886  0.282002  1
  Ti  Ti35  1  0.142786  0.143317  0.305083  1
  Ti  Ti36  1  0.476119  0.809984  0.305083  1
  Ti  Ti37  1  0.914880  0.415397  0.356979  1
  Ti  Ti38  1  0.248213  0.082064  0.356979  1
  Ti  Ti39  1  0.217608  0.384787  0.383360  1
  Ti  Ti40  1  0.581547  0.748730  0.356979  1
  Ti  Ti41  1  0.550942  0.051454  0.383360  1
  Ti  Ti42  1  0.519943  0.353770  0.408941  1
  Ti  Ti43  1  0.884275  0.718121  0.383360  1
  Ti  Ti44  1  0.853276  0.020437  0.408941  1
  Ti  Ti45  1  0.186610  0.687103  0.408941  1
  Ti  Ti46  1  0.081547  0.248730  0.356979  1
  Ti  Ti47  1  0.414880  0.915397  0.356979  1
  Ti  Ti48  1  0.384275  0.218121  0.383360  1
  Ti  Ti49  1  0.748213  0.582064  0.356979  1
  Ti  Ti50  1  0.717608  0.884787  0.383360  1
  Ti  Ti51  1  0.686610  0.187103  0.408941  1
  Ti  Ti52  1  0.050942  0.551454  0.383360  1
  Ti  Ti53  1  0.019943  0.853770  0.408941  1
  Ti  Ti54  1  0.353276  0.520437  0.408941  1
  Ti  Ti55  1  0.884275  0.218121  0.383360  1
  Ti  Ti56  1  0.217608  0.884787  0.383360  1
  Ti  Ti57  1  0.186610  0.187103  0.408941  1
  Ti  Ti58  1  0.550942  0.551454  0.383360  1
  Ti  Ti59  1  0.519943  0.853770  0.408941  1
  Ti  Ti60  1  0.581547  0.248730  0.356979  1
  Ti  Ti61  1  0.853276  0.520437  0.408941  1
  Ti  Ti62  1  0.914880  0.915397  0.356979  1
  Ti  Ti63  1  0.248213  0.582064  0.356979  1
  Ti  Ti64  1  0.019943  0.353770  0.408941  1
  Ti  Ti65  1  0.353276  0.020437  0.408941  1
  Ti  Ti66  1  0.414880  0.415397  0.356979  1
  Ti  Ti67  1  0.686610  0.687103  0.408941  1
  Ti  Ti68  1  0.748213  0.082064  0.356979  1
  Ti  Ti69  1  0.717608  0.384787  0.383360  1
  Ti  Ti70  1  0.081547  0.748730  0.356979  1
  Ti  Ti71  1  0.050942  0.051454  0.383360  1
  Ti  Ti72  1  0.384275  0.718121  0.383360  1
  Ti  Ti73  1  0.822453  0.322936  0.435036  1
  Ti  Ti74  1  0.155786  0.989603  0.435036  1
  Ti  Ti75  1  0.124840  0.291974  0.460808  1
  Ti  Ti76  1  0.489119  0.656270  0.435036  1
  Ti  Ti77  1  0.458174  0.958641  0.460808  1
  Ti  Ti78  1  0.427309  0.261098  0.486797  1
  Ti  Ti79  1  0.791507  0.625307  0.460808  1
  Ti  Ti80  1  0.760643  0.927765  0.486797  1
  Ti  Ti81  1  0.093976  0.594431  0.486797  1
  Ti  Ti82  1  0.989119  0.156270  0.435036  1
  Ti  Ti83  1  0.322453  0.822936  0.435036  1
  Ti  Ti84  1  0.291507  0.125307  0.460808  1
  Ti  Ti85  1  0.655786  0.489603  0.435036  1
  Ti  Ti86  1  0.624840  0.791974  0.460808  1
  Ti  Ti87  1  0.593976  0.094431  0.486797  1
  Ti  Ti88  1  0.958174  0.458641  0.460808  1
  Ti  Ti89  1  0.927309  0.761098  0.486797  1
  Ti  Ti90  1  0.260643  0.427765  0.486797  1
  Ti  Ti91  1  0.791507  0.125307  0.460808  1
  Ti  Ti92  1  0.124840  0.791974  0.460808  1
  Ti  Ti93  1  0.093976  0.094431  0.486797  1
  Ti  Ti94  1  0.458174  0.458641  0.460808  1
  Ti  Ti95  1  0.427309  0.761098  0.486797  1
  Ti  Ti96  1  0.489119  0.156270  0.435036  1
  Ti  Ti97  1  0.760643  0.427765  0.486797  1
  Ti  Ti98  1  0.822453  0.822936  0.435036  1
  Ti  Ti99  1  0.155786  0.489603  0.435036  1
  Ti  Ti100  1  0.927309  0.261098  0.486797  1
  Ti  Ti101  1  0.260643  0.927765  0.486797  1
  Ti  Ti102  1  0.322453  0.322936  0.435036  1
  Ti  Ti103  1  0.593976  0.594431  0.486797  1
  Ti  Ti104  1  0.655786  0.989603  0.435036  1
  Ti  Ti105  1  0.624840  0.291974  0.460808  1
  Ti  Ti106  1  0.989119  0.656270  0.435036  1
  Ti  Ti107  1  0.958174  0.958641  0.460808  1
  Ti  Ti108  1  0.291507  0.625307  0.460808  1
  Ti  Ti109  1  0.729715  0.230155  0.512615  1
  Ti  Ti110  1  0.063048  0.896822  0.512615  1
  Ti  Ti111  1  0.032184  0.199279  0.538604  1
  Ti  Ti112  1  0.396382  0.563488  0.512615  1
  Ti  Ti113  1  0.365517  0.865946  0.538604  1
  Ti  Ti114  1  0.334571  0.168317  0.564376  1
  Ti  Ti115  1  0.698850  0.532612  0.538604  1
  Ti  Ti116  1  0.667905  0.834983  0.564376  1
  Ti  Ti117  1  1.001238  0.501650  0.564376  1
  Ti  Ti118  1  0.896382  0.063488  0.512615  1
  Ti  Ti119  1  0.229715  0.730155  0.512615  1
  Ti  Ti120  1  0.198850  0.032612  0.538604  1
  Ti  Ti121  1  0.563048  0.396822  0.512615  1
  Ti  Ti122  1  0.532184  0.699279  0.538604  1
  Ti  Ti123  1  0.501238  1.001650  0.564376  1
  Ti  Ti124  1  0.865517  0.365946  0.538604  1
  Ti  Ti125  1  0.834571  0.668317  0.564376  1
  Ti  Ti126  1  0.167905  0.334983  0.564376  1
  Ti  Ti127  1  0.698850  0.032612  0.538604  1
  Ti  Ti128  1  0.032184  0.699279  0.538604  1
  Ti  Ti129  1  1.001238  1.001650  0.564376  1
  Ti  Ti130  1  0.365517  0.365946  0.538604  1
  Ti  Ti131  1  0.334571  0.668317  0.564376  1
  Ti  Ti132  1  0.396382  0.063488  0.512615  1
  Ti  Ti133  1  0.667905  0.334983  0.564376  1
  Ti  Ti134  1  0.729715  0.730155  0.512615  1
  Ti  Ti135  1  0.063048  0.396822  0.512615  1
  Ti  Ti136  1  0.834571  0.168317  0.564376  1
  Ti  Ti137  1  0.167905  0.834983  0.564376  1
  Ti  Ti138  1  0.229715  0.230155  0.512615  1
  Ti  Ti139  1  0.501238  0.501650  0.564376  1
  Ti  Ti140  1  0.563048  0.896822  0.512615  1
  Ti  Ti141  1  0.532184  0.199279  0.538604  1
  Ti  Ti142  1  0.896382  0.563488  0.512615  1
  Ti  Ti143  1  0.865517  0.865946  0.538604  1
  Ti  Ti144  1  0.198850  0.532612  0.538604  1
  Ti  Ti145  1  0.637081  0.137483  0.590471  1
  Ti  Ti146  1  0.970414  0.804150  0.590471  1
  Ti  Ti147  1  0.939416  0.106466  0.616052  1
  Ti  Ti148  1  0.303748  0.470816  0.590471  1
  Ti  Ti149  1  0.272749  0.773132  0.616052  1
  Ti  Ti150  1  0.242144  0.075856  0.642433  1
  Ti  Ti151  1  0.606082  0.439799  0.616052  1
  Ti  Ti152  1  0.575477  0.742523  0.642433  1
  Ti  Ti153  1  0.908811  0.409189  0.642433  1
  Ti  Ti154  1  0.803748  0.970816  0.590471  1
  Ti  Ti155  1  0.137081  0.637483  0.590471  1
  Ti  Ti156  1  0.106082  0.939799  0.616052  1
  Ti  Ti157  1  0.470414  0.304150  0.590471  1
  Ti  Ti158  1  0.439416  0.606466  0.616052  1
  Ti  Ti159  1  0.408811  0.909189  0.642433  1
  Ti  Ti160  1  0.772749  0.273132  0.616052  1
  Ti  Ti161  1  0.742144  0.575856  0.642433  1
  Ti  Ti162  1  0.075477  0.242523  0.642433  1
  Ti  Ti163  1  0.606082  0.939799  0.616052  1
  Ti  Ti164  1  0.939416  0.606466  0.616052  1
  Ti  Ti165  1  0.908811  0.909189  0.642433  1
  Ti  Ti166  1  0.272749  0.273132  0.616052  1
  Ti  Ti167  1  0.242144  0.575856  0.642433  1
  Ti  Ti168  1  0.303748  0.970816  0.590471  1
  Ti  Ti169  1  0.575477  0.242523  0.642433  1
  Ti  Ti170  1  0.637081  0.637483  0.590471  1
  Ti  Ti171  1  0.970414  0.304150  0.590471  1
  Ti  Ti172  1  0.742144  0.075856  0.642433  1
  Ti  Ti173  1  0.075477  0.742523  0.642433  1
  Ti  Ti174  1  0.137081  0.137483  0.590471  1
  Ti  Ti175  1  0.408811  0.409189  0.642433  1
  Ti  Ti176  1  0.470414  0.804150  0.590471  1
  Ti  Ti177  1  0.439416  0.106466  0.616052  1
  Ti  Ti178  1  0.803748  0.470816  0.590471  1
  Ti  Ti179  1  0.772749  0.773132  0.616052  1
  Ti  Ti180  1  0.106082  0.439799  0.616052  1
  Ti  Ti181  1  0.544566  0.044919  0.667320  1
  Ti  Ti182  1  0.877900  0.711585  0.667320  1
  Ti  Ti183  1  0.847571  0.014603  0.694329  1
  Ti  Ti184  1  0.211233  0.378252  0.667320  1
  Ti  Ti185  1  0.180905  0.681269  0.694329  1
  Ti  Ti186  1  0.149050  0.982700  0.717410  1
  Ti  Ti187  1  0.514238  0.347936  0.694329  1
  Ti  Ti188  1  0.482383  0.649367  0.717410  1
  Ti  Ti189  1  0.815716  0.316034  0.717410  1
  Ti  Ti190  1  0.711233  0.878252  0.667320  1
  Ti  Ti191  1  0.044566  0.544919  0.667320  1
  Ti  Ti192  1  0.014238  0.847936  0.694329  1
  Ti  Ti193  1  0.377900  0.211585  0.667320  1
  Ti  Ti194  1  0.347571  0.514603  0.694329  1
  Ti  Ti195  1  0.315716  0.816034  0.717410  1
  Ti  Ti196  1  0.680905  0.181269  0.694329  1
  Ti  Ti197  1  0.649050  0.482700  0.717410  1
  Ti  Ti198  1  0.982383  0.149367  0.717410  1
  Ti  Ti199  1  0.514238  0.847936  0.694329  1
  Ti  Ti200  1  0.847571  0.514603  0.694329  1
  Ti  Ti201  1  0.815716  0.816034  0.717410  1
  Ti  Ti202  1  0.180905  0.181269  0.694329  1
  Ti  Ti203  1  0.149050  0.482700  0.717410  1
  Ti  Ti204  1  0.211233  0.878252  0.667320  1
  Ti  Ti205  1  0.482383  0.149367  0.717410  1
  Ti  Ti206  1  0.544566  0.544919  0.667320  1
  Ti  Ti207  1  0.877900  0.211585  0.667320  1
  Ti  Ti208  1  0.649050  0.982700  0.717410  1
  Ti  Ti209  1  0.982383  0.649367  0.717410  1
  Ti  Ti210  1  0.044566  0.044919  0.667320  1
  Ti  Ti211  1  0.315716  0.316034  0.717410  1
  Ti  Ti212  1  0.377900  0.711585  0.667320  1
  Ti  Ti213  1  0.347571  0.014603  0.694329  1
  Ti  Ti214  1  0.711233  0.378252  0.667320  1
  Ti  Ti215  1  0.680905  0.681269  0.694329  1
  Ti  Ti216  1  0.014238  0.347936  0.694329  1
