# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.91660356
_cell_length_b   7.34012309
_cell_length_c   47.43221275
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.95791296
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti60
_cell_volume   2312.67194271
_cell_formula_units_Z   60
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  0.582091  0.168739  0.279402  1
  Ti  Ti2  1  0.757509  0.591752  0.298735  1
  Ti  Ti3  1  0.019141  0.435246  0.291962  1
  Ti  Ti4  1  0.229071  0.884505  0.310259  1
  Ti  Ti5  1  0.320926  0.324925  0.285094  1
  Ti  Ti6  1  0.503049  0.757193  0.303754  1
  Ti  Ti7  1  0.970451  0.034660  0.316178  1
  Ti  Ti8  1  0.207045  0.449289  0.341601  1
  Ti  Ti9  1  0.459558  0.299901  0.335372  1
  Ti  Ti10  1  0.674735  0.733577  0.355936  1
  Ti  Ti11  1  0.717797  0.166014  0.330489  1
  Ti  Ti12  1  0.942082  0.590727  0.349112  1
  Ti  Ti13  1  0.401288  0.872082  0.363900  1
  Ti  Ti14  1  0.626148  0.308076  0.387816  1
  Ti  Ti15  1  0.890676  0.165818  0.380477  1
  Ti  Ti16  1  0.096069  0.589982  0.403001  1
  Ti  Ti17  1  0.138479  0.018017  0.370038  1
  Ti  Ti18  1  0.360448  0.447432  0.395384  1
  Ti  Ti19  1  0.836919  0.737024  0.410387  1
  Ti  Ti20  1  0.049135  0.163751  0.433629  1
  Ti  Ti21  1  0.306517  0.020359  0.424154  1
  Ti  Ti22  1  0.525891  0.447795  0.448428  1
  Ti  Ti23  1  0.572921  0.879387  0.417160  1
  Ti  Ti24  1  0.786880  0.305401  0.440942  1
  Ti  Ti25  1  0.264851  0.592534  0.455683  1
  Ti  Ti26  1  0.472135  0.019676  0.477960  1
  Ti  Ti27  1  0.736349  0.876775  0.470991  1
  Ti  Ti28  1  0.952053  0.307309  0.493736  1
  Ti  Ti29  1  1.001801  0.734535  0.463912  1
  Ti  Ti30  1  0.213607  0.163794  0.486400  1
  Ti  Ti31  1  0.687868  0.447114  0.501653  1
  Ti  Ti32  1  0.903571  0.877648  0.524398  1
  Ti  Ti33  1  0.167786  0.734746  0.517429  1
  Ti  Ti34  1  0.375069  0.161888  0.539705  1
  Ti  Ti35  1  0.426313  0.590628  0.508988  1
  Ti  Ti36  1  0.638119  0.019888  0.531477  1
  Ti  Ti37  1  0.114029  0.306627  0.546961  1
  Ti  Ti38  1  0.333403  0.734063  0.571235  1
  Ti  Ti39  1  0.590785  0.590671  0.561760  1
  Ti  Ti40  1  0.803002  0.017399  0.585002  1
  Ti  Ti41  1  0.853041  0.449022  0.554447  1
  Ti  Ti42  1  0.066999  0.875036  0.578228  1
  Ti  Ti43  1  0.543851  0.164441  0.592388  1
  Ti  Ti44  1  0.749244  0.588605  0.614911  1
  Ti  Ti45  1  0.013773  0.446347  0.607573  1
  Ti  Ti46  1  0.238633  0.882340  0.631489  1
  Ti  Ti47  1  0.279472  0.306990  0.600004  1
  Ti  Ti48  1  0.501442  0.736406  0.625351  1
  Ti  Ti49  1  0.965186  0.020845  0.639452  1
  Ti  Ti50  1  0.180362  0.454521  0.660017  1
  Ti  Ti51  1  0.432875  0.305134  0.653787  1
  Ti  Ti52  1  0.669470  0.719763  0.679211  1
  Ti  Ti53  1  0.697839  0.163695  0.646277  1
  Ti  Ti54  1  0.922123  0.588408  0.664900  1
  Ti  Ti55  1  0.410849  0.869917  0.685130  1
  Ti  Ti56  1  0.620779  0.319177  0.703426  1
  Ti  Ti57  1  0.882411  0.162671  0.696654  1
  Ti  Ti58  1  0.057830  0.585684  0.715987  1
  Ti  Ti59  1  0.136872  0.997230  0.691635  1
  Ti  Ti60  1  0.318994  0.429497  0.710295  1
