# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75067287
_cell_length_b   10.80664579
_cell_length_c   49.76804835
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti66
_cell_volume   2555.03382312
_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  0.495617  0.677948  0.259273  1
  Ti  Ti2  1  0.995617  0.093090  0.254169  1
  Ti  Ti3  1  0.495617  0.405029  0.271835  1
  Ti  Ti4  1  0.995617  0.826741  0.266575  1
  Ti  Ti5  1  0.995617  0.556860  0.279848  1
  Ti  Ti6  1  0.495617  0.945829  0.246768  1
  Ti  Ti7  1  0.495617  0.866766  0.300795  1
  Ti  Ti8  1  0.995617  0.289832  0.293917  1
  Ti  Ti9  1  0.495617  0.595590  0.313872  1
  Ti  Ti10  1  0.995617  1.017611  0.308599  1
  Ti  Ti11  1  0.995617  0.746817  0.322230  1
  Ti  Ti12  1  0.495617  0.137506  0.286108  1
  Ti  Ti13  1  0.495617  0.058242  0.342132  1
  Ti  Ti14  1  0.995617  0.478651  0.336189  1
  Ti  Ti15  1  0.495617  0.787147  0.356175  1
  Ti  Ti16  1  0.995617  0.209715  0.350179  1
  Ti  Ti17  1  0.995617  0.938901  0.364438  1
  Ti  Ti18  1  0.495617  0.327609  0.327752  1
  Ti  Ti19  1  0.495617  0.248974  0.384013  1
  Ti  Ti20  1  0.995617  0.669341  0.378541  1
  Ti  Ti21  1  0.495617  0.979057  0.398154  1
  Ti  Ti22  1  0.995617  0.400196  0.392526  1
  Ti  Ti23  1  0.995617  0.130712  0.406492  1
  Ti  Ti24  1  0.495617  0.517996  0.369986  1
  Ti  Ti25  1  0.495617  0.439933  0.426224  1
  Ti  Ti26  1  0.995617  0.860995  0.420656  1
  Ti  Ti27  1  0.495617  0.170494  0.440223  1
  Ti  Ti28  1  0.995617  0.591350  0.434755  1
  Ti  Ti29  1  0.995617  0.321855  0.448779  1
  Ti  Ti30  1  0.495617  0.709330  0.412243  1
  Ti  Ti31  1  0.495617  0.631312  0.468407  1
  Ti  Ti32  1  0.995617  0.052515  0.462795  1
  Ti  Ti33  1  0.495617  0.361722  0.482463  1
  Ti  Ti34  1  0.995617  0.782926  0.476852  1
  Ti  Ti35  1  0.995617  0.513260  0.490937  1
  Ti  Ti36  1  0.495617  0.900977  0.454321  1
  Ti  Ti37  1  0.495617  0.822888  0.510503  1
  Ti  Ti38  1  0.995617  0.243743  0.505035  1
  Ti  Ti39  1  0.495617  0.553242  0.524602  1
  Ti  Ti40  1  0.995617  0.974305  0.519035  1
  Ti  Ti41  1  0.995617  0.704907  0.533015  1
  Ti  Ti42  1  0.495617  0.092382  0.496479  1
  Ti  Ti43  1  0.495617  1.014041  0.552732  1
  Ti  Ti44  1  -0.004383  0.435180  0.547105  1
  Ti  Ti45  1  0.495617  0.744896  0.566717  1
  Ti  Ti46  1  0.995617  0.165263  0.561245  1
  Ti  Ti47  1  0.995617  0.896241  0.575272  1
  Ti  Ti48  1  0.495617  0.283526  0.538766  1
  Ti  Ti49  1  0.495617  0.204522  0.595079  1
  Ti  Ti50  1  0.995617  0.627090  0.589084  1
  Ti  Ti51  1  0.495617  0.935586  0.609069  1
  Ti  Ti52  1  -0.004383  0.355996  0.603126  1
  Ti  Ti53  1  0.995617  0.086628  0.617507  1
  Ti  Ti54  1  0.495617  0.475336  0.580820  1
  Ti  Ti55  1  0.495617  0.396626  0.636659  1
  Ti  Ti56  1  0.995617  0.818647  0.631386  1
  Ti  Ti57  1  0.495617  0.124405  0.651342  1
  Ti  Ti58  1  0.995617  0.547471  0.644463  1
  Ti  Ti59  1  0.995617  0.276731  0.659150  1
  Ti  Ti60  1  0.495617  0.667421  0.623028  1
  Ti  Ti61  1  0.495617  0.587496  0.678683  1
  Ti  Ti62  1  0.995617  1.009208  0.673423  1
  Ti  Ti63  1  0.495617  0.321147  0.691090  1
  Ti  Ti64  1  0.995617  0.736289  0.685985  1
  Ti  Ti65  1  0.995617  0.468408  0.698491  1
  Ti  Ti66  1  0.495617  0.857377  0.665410  1
