# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67010084
_cell_length_b   10.23362839
_cell_length_c   47.80089691
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2226.65918791
_cell_formula_units_Z   54
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  0.816588  0.703395  0.291093  1
  Ti  Ti2  1  0.969339  0.012597  0.303714  1
  Ti  Ti3  1  0.125768  0.328340  0.317552  1
  Ti  Ti4  1  0.395780  0.863360  0.295109  1
  Ti  Ti5  1  0.547906  0.171364  0.310925  1
  Ti  Ti6  1  0.701421  0.480906  0.327176  1
  Ti  Ti7  1  0.282054  0.642677  0.331931  1
  Ti  Ti8  1  0.439456  0.960262  0.350477  1
  Ti  Ti9  1  0.594440  0.272161  0.366787  1
  Ti  Ti10  1  0.861028  0.802118  0.344400  1
  Ti  Ti11  1  0.017507  0.117427  0.358478  1
  Ti  Ti12  1  0.174021  0.431760  0.373187  1
  Ti  Ti13  1  0.751021  0.586396  0.382550  1
  Ti  Ti14  1  0.909960  0.904628  0.399013  1
  Ti  Ti15  1  0.067171  0.219782  0.413978  1
  Ti  Ti16  1  0.330195  0.744947  0.389037  1
  Ti  Ti17  1  0.488040  0.061303  0.406284  1
  Ti  Ti18  1  0.645006  0.375753  0.422287  1
  Ti  Ti19  1  0.223742  0.533558  0.429336  1
  Ti  Ti20  1  0.380895  0.848045  0.445462  1
  Ti  Ti21  1  0.538836  0.163984  0.461917  1
  Ti  Ti22  1  0.802112  0.690411  0.438147  1
  Ti  Ti23  1  0.960391  1.007015  0.454340  1
  Ti  Ti24  1  0.117636  0.321667  0.469760  1
  Ti  Ti25  1  0.696087  0.478637  0.477845  1
  Ti  Ti26  1  0.853628  0.793861  0.493917  1
  Ti  Ti27  1  0.011394  0.109455  0.510042  1
  Ti  Ti28  1  0.274627  0.635851  0.485315  1
  Ti  Ti29  1  0.432392  0.951445  0.501440  1
  Ti  Ti30  1  0.589933  0.266669  0.517512  1
  Ti  Ti31  1  0.168384  0.423639  0.525597  1
  Ti  Ti32  1  0.325629  0.738290  0.541017  1
  Ti  Ti33  1  0.483908  0.054894  0.557210  1
  Ti  Ti34  1  0.747184  0.581322  0.533440  1
  Ti  Ti35  1  0.905126  0.897260  0.549895  1
  Ti  Ti36  1  0.062278  0.211748  0.566021  1
  Ti  Ti37  1  0.641015  0.369553  0.573070  1
  Ti  Ti38  1  0.797980  0.684003  0.589073  1
  Ti  Ti39  1  0.955825  1.000359  0.606320  1
  Ti  Ti40  1  0.218849  0.525523  0.581379  1
  Ti  Ti41  1  0.376060  0.840678  0.596344  1
  Ti  Ti42  1  0.534999  0.158910  0.612807  1
  Ti  Ti43  1  0.112000  0.313546  0.622170  1
  Ti  Ti44  1  0.268513  0.627879  0.636879  1
  Ti  Ti45  1  0.424992  0.943187  0.650957  1
  Ti  Ti46  1  0.691580  0.473145  0.628570  1
  Ti  Ti47  1  0.846564  0.785044  0.644880  1
  Ti  Ti48  1  0.003967  0.102629  0.663426  1
  Ti  Ti49  1  0.584599  0.264400  0.668181  1
  Ti  Ti50  1  0.738114  0.573942  0.684432  1
  Ti  Ti51  1  0.890240  0.881946  0.700248  1
  Ti  Ti52  1  0.160253  0.416966  0.677805  1
  Ti  Ti53  1  0.316682  0.732709  0.691643  1
  Ti  Ti54  1  0.469433  0.041911  0.704264  1
