# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.64528871
_cell_length_b   5.56082210
_cell_length_c   46.75921339
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.35615657
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti66
_cell_volume   2572.82635689
_cell_formula_units_Z   66
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  0.057620  0.010362  0.303936  1
  Ti  Ti2  1  0.504137  0.121065  0.278643  1
  Ti  Ti3  1  0.780061  0.064536  0.290683  1
  Ti  Ti4  1  0.990149  0.553334  0.293088  1
  Ti  Ti5  1  0.269519  0.496903  0.306200  1
  Ti  Ti6  1  0.711791  0.610014  0.280211  1
  Ti  Ti7  1  0.899430  0.838521  0.345381  1
  Ti  Ti8  1  0.339214  0.950577  0.316886  1
  Ti  Ti9  1  0.620010  0.896819  0.332142  1
  Ti  Ti10  1  0.831611  0.385627  0.334349  1
  Ti  Ti11  1  0.112230  0.328167  0.347841  1
  Ti  Ti12  1  0.550809  0.446252  0.320349  1
  Ti  Ti13  1  0.739428  0.669095  0.387378  1
  Ti  Ti14  1  0.179254  0.782389  0.358887  1
  Ti  Ti15  1  0.458453  0.726681  0.373075  1
  Ti  Ti16  1  0.671941  0.216785  0.375719  1
  Ti  Ti17  1  0.952755  0.158387  0.389617  1
  Ti  Ti18  1  0.391516  0.272452  0.361285  1
  Ti  Ti19  1  0.579456  0.499354  0.428936  1
  Ti  Ti20  1  0.019662  0.612209  0.401049  1
  Ti  Ti21  1  0.299515  0.555584  0.414819  1
  Ti  Ti22  1  0.512279  0.046262  0.417332  1
  Ti  Ti23  1  0.792745  0.989433  0.431399  1
  Ti  Ti24  1  0.232512  0.102165  0.403405  1
  Ti  Ti25  1  0.420021  0.329014  0.470668  1
  Ti  Ti26  1  0.859945  0.442289  0.442901  1
  Ti  Ti27  1  0.140044  0.385621  0.456740  1
  Ti  Ti28  1  0.352911  0.875749  0.459157  1
  Ti  Ti29  1  0.633064  0.819300  0.473120  1
  Ti  Ti30  1  0.073015  0.932269  0.445281  1
  Ti  Ti31  1  0.260447  0.158981  0.512468  1
  Ti  Ti32  1  0.700201  0.272438  0.484665  1
  Ti  Ti33  1  0.980367  0.215734  0.498573  1
  Ti  Ti34  1  0.193358  0.705773  0.500982  1
  Ti  Ti35  1  0.473524  0.649069  0.514891  1
  Ti  Ti36  1  0.913278  0.762526  0.487088  1
  Ti  Ti37  1  0.100709  0.989238  0.554274  1
  Ti  Ti38  1  0.540660  0.102207  0.526435  1
  Ti  Ti39  1  0.820813  0.045758  0.540399  1
  Ti  Ti40  1  0.033681  0.535886  0.542816  1
  Ti  Ti41  1  0.313780  0.479218  0.556655  1
  Ti  Ti42  1  0.753704  0.592493  0.528887  1
  Ti  Ti43  1  0.941213  0.819342  0.596151  1
  Ti  Ti44  1  0.380979  0.932073  0.568157  1
  Ti  Ti45  1  0.661445  0.875245  0.582223  1
  Ti  Ti46  1  0.874209  0.365923  0.584737  1
  Ti  Ti47  1  0.154063  0.309298  0.598506  1
  Ti  Ti48  1  0.594269  0.422153  0.570620  1
  Ti  Ti49  1  0.782209  0.649055  0.638270  1
  Ti  Ti50  1  0.220970  0.763120  0.609939  1
  Ti  Ti51  1  0.501783  0.704722  0.623836  1
  Ti  Ti52  1  0.715271  0.194826  0.626480  1
  Ti  Ti53  1  0.994470  0.139118  0.640669  1
  Ti  Ti54  1  0.434297  0.252412  0.612178  1
  Ti  Ti55  1  0.622916  0.475255  0.679206  1
  Ti  Ti56  1  0.061495  0.593340  0.651715  1
  Ti  Ti57  1  0.342113  0.535880  0.665206  1
  Ti  Ti58  1  0.553714  0.024688  0.667414  1
  Ti  Ti59  1  0.834510  0.970930  0.682669  1
  Ti  Ti60  1  0.274294  0.082986  0.654175  1
  Ti  Ti61  1  0.461933  0.311493  0.719344  1
  Ti  Ti62  1  0.904206  0.424603  0.693355  1
  Ti  Ti63  1  0.183576  0.368173  0.706467  1
  Ti  Ti64  1  0.393664  0.856971  0.708872  1
  Ti  Ti65  1  0.669588  0.800442  0.720913  1
  Ti  Ti66  1  0.116105  0.911145  0.695619  1
