# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.74515538
_cell_length_b   5.41951355
_cell_length_c   48.28622778
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   53.89475289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti90
_cell_volume   3540.37842211
_cell_formula_units_Z   90
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  0.678178  0.602668  0.286921  1
  Ti  Ti2  1  0.025417  0.297484  0.309204  1
  Ti  Ti3  1  0.401424  0.697931  0.281714  1
  Ti  Ti4  1  0.816413  0.762472  0.299714  1
  Ti  Ti5  1  0.097026  0.668756  0.306127  1
  Ti  Ti6  1  0.470988  0.073054  0.277678  1
  Ti  Ti7  1  0.887264  0.134167  0.296621  1
  Ti  Ti8  1  0.236854  0.842771  0.318003  1
  Ti  Ti9  1  0.608103  0.230533  0.290135  1
  Ti  Ti10  1  0.658187  0.881589  0.339730  1
  Ti  Ti11  1  0.934433  0.797207  0.346010  1
  Ti  Ti12  1  0.306273  0.224501  0.315266  1
  Ti  Ti13  1  0.725268  0.264174  0.336331  1
  Ti  Ti14  1  0.076656  0.950978  0.358856  1
  Ti  Ti15  1  0.449335  0.351636  0.330513  1
  Ti  Ti16  1  0.867355  0.414273  0.349398  1
  Ti  Ti17  1  0.142984  0.335297  0.355724  1
  Ti  Ti18  1  0.516233  0.733865  0.326673  1
  Ti  Ti19  1  0.563156  0.390041  0.376392  1
  Ti  Ti20  1  0.915105  0.071052  0.399681  1
  Ti  Ti21  1  0.284923  0.489326  0.368927  1
  Ti  Ti22  1  0.705694  0.537880  0.389983  1
  Ti  Ti23  1  0.982030  0.454377  0.395973  1
  Ti  Ti24  1  0.351641  0.872813  0.365055  1
  Ti  Ti25  1  0.772778  0.920791  0.386202  1
  Ti  Ti26  1  0.124201  0.607485  0.409407  1
  Ti  Ti27  1  0.496017  0.006767  0.380259  1
  Ti  Ti28  1  0.544137  0.661964  0.430310  1
  Ti  Ti29  1  0.820432  0.577655  0.436357  1
  Ti  Ti30  1  0.190850  0.991791  0.405771  1
  Ti  Ti31  1  0.610792  0.046595  0.426415  1
  Ti  Ti32  1  0.963111  0.726802  0.449949  1
  Ti  Ti33  1  0.333614  0.138799  0.419442  1
  Ti  Ti34  1  0.753760  0.193041  0.440182  1
  Ti  Ti35  1  0.029661  0.111782  0.446206  1
  Ti  Ti36  1  0.400128  0.523956  0.415561  1
  Ti  Ti37  1  0.448380  0.177211  0.465902  1
  Ti  Ti38  1  0.801829  0.848194  0.490430  1
  Ti  Ti39  1  0.172402  0.261119  0.459766  1
  Ti  Ti40  1  0.592245  0.317154  0.480476  1
  Ti  Ti41  1  0.868339  0.233290  0.486582  1
  Ti  Ti42  1  0.238899  0.646103  0.455951  1
  Ti  Ti43  1  0.658746  0.702305  0.476547  1
  Ti  Ti44  1  0.011151  0.381946  0.500219  1
  Ti  Ti45  1  0.381955  0.791865  0.469832  1
  Ti  Ti46  1  0.430070  0.446632  0.520081  1
  Ti  Ti47  1  0.706862  0.357073  0.526796  1
  Ti  Ti48  1  0.077666  0.766992  0.496409  1
  Ti  Ti49  1  0.496571  0.831784  0.516153  1
  Ti  Ti50  1  0.849918  0.502835  0.540677  1
  Ti  Ti51  1  0.220477  0.915647  0.510047  1
  Ti  Ti52  1  0.640436  0.971727  0.530727  1
  Ti  Ti53  1  0.916415  0.887818  0.536862  1
  Ti  Ti54  1  0.286987  0.300743  0.506198  1
  Ti  Ti55  1  0.335057  0.955897  0.556446  1
  Ti  Ti56  1  0.688688  0.624981  0.581067  1
  Ti  Ti57  1  0.059155  0.037155  0.550422  1
  Ti  Ti58  1  0.478024  0.102342  0.570213  1
  Ti  Ti59  1  0.755203  0.010139  0.577186  1
  Ti  Ti60  1  0.125706  0.422136  0.546680  1
  Ti  Ti61  1  0.544679  0.486973  0.566319  1
  Ti  Ti62  1  0.897967  0.157146  0.590857  1
  Ti  Ti63  1  0.268385  0.571282  0.560271  1
  Ti  Ti64  1  0.316038  0.228146  0.610426  1
  Ti  Ti65  1  0.592799  0.142171  0.616370  1
  Ti  Ti66  1  0.964616  0.541452  0.587222  1
  Ti  Ti67  1  0.383122  0.611057  0.606646  1
  Ti  Ti68  1  0.737176  0.276124  0.631573  1
  Ti  Ti69  1  0.106786  0.694561  0.600655  1
  Ti  Ti70  1  0.525661  0.758897  0.620237  1
  Ti  Ti71  1  0.803893  0.659612  0.627701  1
  Ti  Ti72  1  0.173711  0.077886  0.596947  1
  Ti  Ti73  1  0.221461  0.734664  0.647230  1
  Ti  Ti74  1  0.572583  0.415072  0.669955  1
  Ti  Ti75  1  0.945832  0.813640  0.640904  1
  Ti  Ti76  1  0.363548  0.884763  0.660297  1
  Ti  Ti77  1  0.639481  0.797301  0.666116  1
  Ti  Ti78  1  0.012160  0.197960  0.637773  1
  Ti  Ti79  1  0.430629  0.267348  0.656898  1
  Ti  Ti80  1  0.782544  0.924437  0.681362  1
  Ti  Ti81  1  0.154383  0.351730  0.650619  1
  Ti  Ti82  1  0.201552  0.014770  0.700008  1
  Ti  Ti83  1  0.480713  0.918405  0.706493  1
  Ti  Ti84  1  0.851962  0.306166  0.678625  1
  Ti  Ti85  1  0.272403  0.386465  0.696915  1
  Ti  Ti86  1  0.617829  0.075883  0.718950  1
  Ti  Ti87  1  0.991791  0.480182  0.690501  1
  Ti  Ti88  1  0.410639  0.546269  0.709707  1
  Ti  Ti89  1  0.687392  0.451006  0.714914  1
  Ti  Ti90  1  0.063400  0.851453  0.687425  1
