# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.25315524
_cell_length_b   10.25548922
_cell_length_c   47.40936961
_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   Ti126
_cell_volume   4960.16009086
_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  0.998415  0.331565  0.318292  1
  Ti  Ti2  1  0.364700  0.026115  0.338096  1
  Ti  Ti3  1  0.426831  0.421012  0.292281  1
  Ti  Ti4  1  0.692795  0.697989  0.338054  1
  Ti  Ti5  1  0.757777  0.090892  0.288695  1
  Ti  Ti6  1  0.718187  0.373006  0.305946  1
  Ti  Ti7  1  0.087746  0.760104  0.292325  1
  Ti  Ti8  1  0.039883  0.051386  0.306062  1
  Ti  Ti9  1  0.367548  0.700793  0.311473  1
  Ti  Ti10  1  0.832044  0.165399  0.342727  1
  Ti  Ti11  1  0.286381  0.941282  0.285579  1
  Ti  Ti12  1  0.252883  0.221360  0.301368  1
  Ti  Ti13  1  0.607983  0.619652  0.285538  1
  Ti  Ti14  1  0.565549  0.898850  0.302758  1
  Ti  Ti15  1  0.542379  0.193886  0.321215  1
  Ti  Ti16  1  0.888104  0.586040  0.301323  1
  Ti  Ti17  1  0.860591  0.875656  0.321257  1
  Ti  Ti18  1  0.181073  0.514247  0.317468  1
  Ti  Ti19  1  0.922599  0.256067  0.395568  1
  Ti  Ti20  1  0.259039  0.943786  0.394850  1
  Ti  Ti21  1  0.336785  0.323748  0.352855  1
  Ti  Ti22  1  0.610616  0.592370  0.394795  1
  Ti  Ti23  1  0.649373  0.982821  0.355938  1
  Ti  Ti24  1  0.632676  0.292570  0.374827  1
  Ti  Ti25  1  0.990446  0.669823  0.352805  1
  Ti  Ti26  1  0.959272  0.966114  0.374844  1
  Ti  Ti27  1  0.277239  0.610295  0.369634  1
  Ti  Ti28  1  0.739575  0.073065  0.407155  1
  Ti  Ti29  1  0.172285  0.854447  0.343016  1
  Ti  Ti30  1  0.130248  0.150691  0.358459  1
  Ti  Ti31  1  0.521329  0.505492  0.342954  1
  Ti  Ti32  1  0.459888  0.793171  0.363270  1
  Ti  Ti33  1  0.450439  0.120864  0.388732  1
  Ti  Ti34  1  0.817329  0.463350  0.358350  1
  Ti  Ti35  1  0.787533  0.783899  0.388667  1
  Ti  Ti36  1  0.093443  0.426598  0.373882  1
  Ti  Ti37  1  0.827112  0.160768  0.458764  1
  Ti  Ti38  1  0.174504  0.841178  0.457955  1
  Ti  Ti39  1  0.220903  0.240704  0.412897  1
  Ti  Ti40  1  0.508370  0.508143  0.458117  1
  Ti  Ti41  1  0.552368  0.885657  0.414652  1
  Ti  Ti42  1  0.537789  0.209637  0.439921  1
  Ti  Ti43  1  0.907217  0.554030  0.412706  1
  Ti  Ti44  1  0.876409  0.871365  0.439836  1
  Ti  Ti45  1  0.186748  0.519911  0.429604  1
  Ti  Ti46  1  0.642586  0.975723  0.466071  1
  Ti  Ti47  1  0.082036  0.754952  0.405389  1
  Ti  Ti48  1  0.050478  0.054972  0.428440  1
  Ti  Ti49  1  0.421989  0.415381  0.405495  1
  Ti  Ti50  1  0.370234  0.703346  0.422266  1
  Ti  Ti51  1  0.350132  0.030234  0.446606  1
  Ti  Ti52  1  0.721387  0.383916  0.428448  1
  Ti  Ti53  1  0.697321  0.683553  0.446550  1
  Ti  Ti54  1  0.011120  0.344963  0.449042  1
  Ti  Ti55  1  0.732779  0.065874  0.517226  1
  Ti  Ti56  1  0.083742  0.740026  0.520934  1
  Ti  Ti57  1  0.144015  0.141621  0.481174  1
  Ti  Ti58  1  0.406951  0.417820  0.521343  1
  Ti  Ti59  1  0.462269  0.795299  0.475033  1
  Ti  Ti60  1  0.441058  0.114774  0.498580  1
  Ti  Ti61  1  0.807663  0.477555  0.481279  1
  Ti  Ti62  1  0.782172  0.774448  0.498576  1
  Ti  Ti63  1  0.099924  0.434097  0.501684  1
  Ti  Ti64  1  0.552847  0.885877  0.528820  1
  Ti  Ti65  1  0.996247  0.647361  0.466819  1
  Ti  Ti66  1  0.966115  0.958018  0.491086  1
  Ti  Ti67  1  0.314448  0.329992  0.467116  1
  Ti  Ti68  1  0.279181  0.612438  0.485164  1
  Ti  Ti69  1  0.266276  0.926573  0.511142  1
  Ti  Ti70  1  0.624061  0.299340  0.491195  1
  Ti  Ti71  1  0.593666  0.600145  0.511472  1
  Ti  Ti72  1  0.915933  0.249603  0.509861  1
  Ti  Ti73  1  0.643315  0.976268  0.583234  1
  Ti  Ti74  1  0.979049  0.660524  0.585943  1
  Ti  Ti75  1  0.054058  0.045412  0.542519  1
  Ti  Ti76  1  0.326859  0.313602  0.585575  1
  Ti  Ti77  1  0.368032  0.701907  0.540682  1
  Ti  Ti78  1  0.356072  0.015325  0.564975  1
  Ti  Ti79  1  0.711323  0.386953  0.542637  1
  Ti  Ti80  1  0.682630  0.690430  0.565478  1
  Ti  Ti81  1  0.003560  0.336899  0.560978  1
  Ti  Ti82  1  0.457064  0.791349  0.594479  1
  Ti  Ti83  1  0.893907  0.568918  0.533709  1
  Ti  Ti84  1  0.865636  0.866037  0.550639  1
  Ti  Ti85  1  0.235427  0.228067  0.533479  1
  Ti  Ti86  1  0.186230  0.520962  0.553916  1
  Ti  Ti87  1  0.169323  0.834203  0.574929  1
  Ti  Ti88  1  0.532495  0.197793  0.550584  1
  Ti  Ti89  1  0.501011  0.504124  0.575264  1
  Ti  Ti90  1  0.822562  0.155578  0.568750  1
  Ti  Ti91  1  0.542771  0.877508  0.647778  1
  Ti  Ti92  1  0.892424  0.557997  0.645880  1
  Ti  Ti93  1  0.946629  0.957851  0.603014  1
  Ti  Ti94  1  0.225875  0.226786  0.645742  1
  Ti  Ti95  1  0.274355  0.609362  0.605155  1
  Ti  Ti96  1  0.260397  0.926842  0.628253  1
  Ti  Ti97  1  0.624046  0.279088  0.602827  1
  Ti  Ti98  1  0.594107  0.595497  0.628415  1
  Ti  Ti99  1  0.911262  0.244395  0.621673  1
  Ti  Ti100  1  0.361578  0.695640  0.656768  1
  Ti  Ti101  1  0.799660  0.471748  0.594421  1
  Ti  Ti102  1  0.773353  0.781946  0.620182  1
  Ti  Ti103  1  0.139171  0.133444  0.594376  1
  Ti  Ti104  1  0.091357  0.424904  0.611684  1
  Ti  Ti105  1  0.069427  0.752269  0.637682  1
  Ti  Ti106  1  0.446994  0.105938  0.619487  1
  Ti  Ti107  1  0.418965  0.404534  0.637145  1
  Ti  Ti108  1  0.730345  0.064045  0.638470  1
  Ti  Ti109  1  0.452148  0.786175  0.706981  1
  Ti  Ti110  1  0.790542  0.447694  0.707057  1
  Ti  Ti111  1  0.874927  0.871397  0.674276  1
  Ti  Ti112  1  0.112853  0.123903  0.707561  1
  Ti  Ti113  1  0.182836  0.515826  0.661579  1
  Ti  Ti114  1  0.161965  0.844154  0.689683  1
  Ti  Ti115  1  0.535262  0.208338  0.673509  1
  Ti  Ti116  1  0.510472  0.495669  0.689374  1
  Ti  Ti117  1  0.825694  0.160362  0.690369  1
  Ti  Ti118  1  0.266102  0.599294  0.713622  1
  Ti  Ti119  1  0.715057  0.369893  0.654126  1
  Ti  Ti120  1  0.693606  0.686413  0.680681  1
  Ti  Ti121  1  0.037281  0.049467  0.654386  1
  Ti  Ti122  1  0.006879  0.339611  0.675328  1
  Ti  Ti123  1  0.986918  0.630918  0.698190  1
  Ti  Ti124  1  0.350759  0.027203  0.680583  1
  Ti  Ti125  1  0.296771  0.319962  0.698372  1
  Ti  Ti126  1  0.636564  0.972050  0.698331  1
