# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63420411
_cell_length_b   13.43511173
_cell_length_c   46.22801891
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.85500442
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2835.73432774
_cell_formula_units_Z   72
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  0.603541  0.205139  0.321142  1
  Ti  Ti2  1  0.924016  0.844176  0.303519  1
  Ti  Ti3  1  0.248178  0.489971  0.289625  1
  Ti  Ti4  1  0.483205  0.963250  0.309865  1
  Ti  Ti5  1  0.807197  0.608902  0.289998  1
  Ti  Ti6  1  0.163076  0.324427  0.327988  1
  Ti  Ti7  1  0.043252  0.083978  0.316044  1
  Ti  Ti8  1  0.362314  0.719995  0.298301  1
  Ti  Ti9  1  0.726084  0.450531  0.329955  1
  Ti  Ti10  1  0.649588  0.298493  0.375275  1
  Ti  Ti11  1  0.967498  0.934089  0.358055  1
  Ti  Ti12  1  0.286751  0.572002  0.342006  1
  Ti  Ti13  1  0.528008  0.055245  0.363802  1
  Ti  Ti14  1  0.846285  0.691281  0.344752  1
  Ti  Ti15  1  0.208498  0.416332  0.382501  1
  Ti  Ti16  1  0.087606  0.174543  0.370663  1
  Ti  Ti17  1  0.406880  0.812685  0.352276  1
  Ti  Ti18  1  0.769315  0.537992  0.387778  1
  Ti  Ti19  1  0.693455  0.386957  0.432002  1
  Ti  Ti20  1  0.012120  0.023955  0.414020  1
  Ti  Ti21  1  0.331392  0.662164  0.396569  1
  Ti  Ti22  1  0.573323  0.146467  0.419533  1
  Ti  Ti23  1  0.891086  0.781659  0.400998  1
  Ti  Ti24  1  0.253737  0.507626  0.438364  1
  Ti  Ti25  1  0.133310  0.266559  0.426159  1
  Ti  Ti26  1  0.452106  0.903797  0.407891  1
  Ti  Ti27  1  0.814525  0.629294  0.444278  1
  Ti  Ti28  1  0.738283  0.477544  0.487911  1
  Ti  Ti29  1  0.057236  0.115133  0.469600  1
  Ti  Ti30  1  0.375858  0.752052  0.451725  1
  Ti  Ti31  1  0.617464  0.235697  0.475806  1
  Ti  Ti32  1  0.935856  0.872165  0.457172  1
  Ti  Ti33  1  0.298718  0.598513  0.494404  1
  Ti  Ti34  1  0.177942  0.356757  0.482022  1
  Ti  Ti35  1  0.497016  0.994579  0.463613  1
  Ti  Ti36  1  0.859210  0.719596  0.500288  1
  Ti  Ti37  1  0.782782  0.567455  0.543901  1
  Ti  Ti38  1  0.101856  0.205277  0.525492  1
  Ti  Ti39  1  0.420587  0.842438  0.507226  1
  Ti  Ti40  1  0.662333  0.326337  0.531708  1
  Ti  Ti41  1  0.981079  0.963521  0.513110  1
  Ti  Ti42  1  0.343942  0.689869  0.550343  1
  Ti  Ti43  1  0.222562  0.446902  0.537914  1
  Ti  Ti44  1  0.541514  0.084491  0.519603  1
  Ti  Ti45  1  0.903939  0.809982  0.555789  1
  Ti  Ti46  1  0.827692  0.658238  0.599624  1
  Ti  Ti47  1  0.146487  0.295476  0.581355  1
  Ti  Ti48  1  0.465273  0.932741  0.563236  1
  Ti  Ti49  1  0.706474  0.415567  0.587982  1
  Ti  Ti50  1  0.026061  0.054408  0.569150  1
  Ti  Ti51  1  0.388711  0.780375  0.606516  1
  Ti  Ti52  1  0.267677  0.538080  0.593494  1
  Ti  Ti53  1  0.586342  0.175077  0.575512  1
  Ti  Ti54  1  0.948405  0.899870  0.610946  1
  Ti  Ti55  1  0.872917  0.749349  0.655239  1
  Ti  Ti56  1  0.192191  0.387491  0.636851  1
  Ti  Ti57  1  0.510482  0.024042  0.619736  1
  Ti  Ti58  1  0.751790  0.506789  0.643712  1
  Ti  Ti59  1  0.071299  0.145702  0.625013  1
  Ti  Ti60  1  0.433512  0.870753  0.662762  1
  Ti  Ti61  1  0.312300  0.627945  0.649459  1
  Ti  Ti62  1  0.630209  0.263541  0.632240  1
  Ti  Ti63  1  0.993046  0.990032  0.665508  1
  Ti  Ti64  1  0.917483  0.842039  0.709213  1
  Ti  Ti65  1  0.236545  0.478056  0.691470  1
  Ti  Ti66  1  0.553714  0.111503  0.677559  1
  Ti  Ti67  1  0.796593  0.598784  0.697650  1
  Ti  Ti68  1  0.116722  0.237607  0.679526  1
  Ti  Ti69  1  0.472601  0.953132  0.717517  1
  Ti  Ti70  1  0.355781  0.717858  0.703995  1
  Ti  Ti71  1  0.676257  0.356895  0.686373  1
  Ti  Ti72  1  0.031620  0.072063  0.717889  1
