# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.01497006
_cell_length_b   7.36638485
_cell_length_c   47.64830378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   122.92814953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti60
_cell_volume   2361.28467842
_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  0.563570  0.198326  0.284572  1
  Ti  Ti2  1  0.810261  0.631320  0.303463  1
  Ti  Ti3  1  0.979485  0.350302  0.290648  1
  Ti  Ti4  1  0.228866  0.787013  0.309534  1
  Ti  Ti5  1  0.393278  0.476747  0.297079  1
  Ti  Ti6  1  0.635057  0.918706  0.315878  1
  Ti  Ti7  1  0.035252  0.061655  0.321882  1
  Ti  Ti8  1  0.212203  0.473862  0.347509  1
  Ti  Ti9  1  0.413267  0.198682  0.336279  1
  Ti  Ti10  1  0.624522  0.621720  0.354692  1
  Ti  Ti11  1  0.807677  0.336947  0.341427  1
  Ti  Ti12  1  0.037370  0.769328  0.360954  1
  Ti  Ti13  1  0.443301  0.901651  0.367964  1
  Ti  Ti14  1  0.632437  0.327072  0.392564  1
  Ti  Ti15  1  0.844777  0.047188  0.374369  1
  Ti  Ti16  1  0.037674  0.466592  0.398835  1
  Ti  Ti17  1  0.232299  0.187825  0.385744  1
  Ti  Ti18  1  0.445714  0.610948  0.406465  1
  Ti  Ti19  1  0.855181  0.758672  0.412852  1
  Ti  Ti20  1  0.057121  0.179185  0.436440  1
  Ti  Ti21  1  0.259454  0.894316  0.420099  1
  Ti  Ti22  1  0.457307  0.317848  0.443736  1
  Ti  Ti23  1  0.661847  0.037082  0.427091  1
  Ti  Ti24  1  0.862553  0.460286  0.450132  1
  Ti  Ti25  1  0.267532  0.602491  0.457850  1
  Ti  Ti26  1  0.479833  0.027352  0.479449  1
  Ti  Ti27  1  0.672992  0.747018  0.464862  1
  Ti  Ti28  1  0.880560  0.170376  0.487374  1
  Ti  Ti29  1  0.076707  0.886008  0.472198  1
  Ti  Ti30  1  0.282889  0.310562  0.494981  1
  Ti  Ti31  1  0.688191  0.453535  0.501464  1
  Ti  Ti32  1  0.894372  0.878089  0.524247  1
  Ti  Ti33  1  0.090520  0.593722  0.509071  1
  Ti  Ti34  1  0.298088  0.017079  0.531582  1
  Ti  Ti35  1  0.491247  0.736745  0.516996  1
  Ti  Ti36  1  0.703548  0.161606  0.538595  1
  Ti  Ti37  1  0.108527  0.303811  0.546313  1
  Ti  Ti38  1  0.309233  0.727015  0.569354  1
  Ti  Ti39  1  0.513773  0.446250  0.552709  1
  Ti  Ti40  1  0.711626  0.869781  0.576346  1
  Ti  Ti41  1  0.913959  0.584913  0.560005  1
  Ti  Ti42  1  0.115898  0.005425  0.583593  1
  Ti  Ti43  1  0.525366  0.153149  0.589980  1
  Ti  Ti44  1  0.738780  0.576272  0.610700  1
  Ti  Ti45  1  0.933405  0.297505  0.597610  1
  Ti  Ti46  1  0.126303  0.716909  0.622075  1
  Ti  Ti47  1  0.338642  0.437025  0.603881  1
  Ti  Ti48  1  0.527779  0.862447  0.628481  1
  Ti  Ti49  1  0.933710  0.994769  0.635491  1
  Ti  Ti50  1  0.163402  0.427150  0.655018  1
  Ti  Ti51  1  0.346557  0.142377  0.641752  1
  Ti  Ti52  1  0.557813  0.565415  0.660166  1
  Ti  Ti53  1  0.758877  0.290235  0.648936  1
  Ti  Ti54  1  0.935828  0.702443  0.674563  1
  Ti  Ti55  1  0.336023  0.845391  0.680567  1
  Ti  Ti56  1  0.577802  0.287350  0.699366  1
  Ti  Ti57  1  0.742213  0.977084  0.686911  1
  Ti  Ti58  1  0.991595  0.413795  0.705797  1
  Ti  Ti59  1  0.160818  0.132777  0.692982  1
  Ti  Ti60  1  0.407510  0.565771  0.711873  1
