# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83994821
_cell_length_b   20.12287983
_cell_length_c   49.77466158
_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   Ti72
_cell_volume   2844.51920661
_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  0.971324  0.279513  0.318178  1
  Ti  Ti2  1  1.001443  0.060175  0.284682  1
  Ti  Ti3  1  0.971085  0.672313  0.299187  1
  Ti  Ti4  1  0.529423  0.150698  0.320109  1
  Ti  Ti5  1  0.551641  0.935334  0.285985  1
  Ti  Ti6  1  0.646981  0.541250  0.305488  1
  Ti  Ti7  1  0.431323  0.014881  0.330705  1
  Ti  Ti8  1  0.326402  0.802021  0.293381  1
  Ti  Ti9  1  0.305117  0.410784  0.311330  1
  Ti  Ti10  1  0.963442  0.099258  0.368925  1
  Ti  Ti11  1  0.988255  0.887595  0.333554  1
  Ti  Ti12  1  0.011352  0.492054  0.353444  1
  Ti  Ti13  1  0.723964  0.963210  0.379942  1
  Ti  Ti14  1  0.691286  0.754467  0.341360  1
  Ti  Ti15  1  0.657950  0.361729  0.359487  1
  Ti  Ti16  1  0.326542  0.834347  0.383591  1
  Ti  Ti17  1  0.342574  0.623560  0.347096  1
  Ti  Ti18  1  0.362235  0.228935  0.365760  1
  Ti  Ti19  1  0.045849  0.910554  0.429177  1
  Ti  Ti20  1  0.014746  0.701513  0.390963  1
  Ti  Ti21  1  0.992990  0.307128  0.408646  1
  Ti  Ti22  1  0.661569  0.781405  0.433445  1
  Ti  Ti23  1  0.666903  0.570388  0.396768  1
  Ti  Ti24  1  0.682182  0.174410  0.415146  1
  Ti  Ti25  1  0.346426  0.649034  0.440552  1
  Ti  Ti26  1  0.330374  0.438946  0.403254  1
  Ti  Ti27  1  0.299087  0.045315  0.419349  1
  Ti  Ti28  1  0.994802  0.728643  0.483211  1
  Ti  Ti29  1  0.998187  0.518115  0.446454  1
  Ti  Ti30  1  0.017259  0.122033  0.464756  1
  Ti  Ti31  1  0.675693  0.596477  0.490203  1
  Ti  Ti32  1  0.672481  0.385974  0.452495  1
  Ti  Ti33  1  0.639261  0.992551  0.469288  1
  Ti  Ti34  1  0.334293  0.465057  0.495833  1
  Ti  Ti35  1  0.333792  0.254362  0.457993  1
  Ti  Ti36  1  0.372291  0.858154  0.478670  1
  Ti  Ti37  1  0.008898  0.543594  0.539696  1
  Ti  Ti38  1  0.008397  0.332899  0.501855  1
  Ti  Ti39  1  0.970399  0.939802  0.519019  1
  Ti  Ti40  1  0.670209  0.411981  0.545193  1
  Ti  Ti41  1  0.666998  0.201478  0.507486  1
  Ti  Ti42  1  0.703430  0.805405  0.528401  1
  Ti  Ti43  1  0.344504  0.279840  0.551235  1
  Ti  Ti44  1  0.347889  0.069313  0.514477  1
  Ti  Ti45  1  0.325431  0.675922  0.532933  1
  Ti  Ti46  1  0.012316  0.359010  0.594435  1
  Ti  Ti47  1  0.996264  0.148922  0.557137  1
  Ti  Ti48  1  0.043603  0.752641  0.578340  1
  Ti  Ti49  1  0.675787  0.227567  0.600920  1
  Ti  Ti50  1  0.681121  0.016551  0.564243  1
  Ti  Ti51  1  0.660509  0.623546  0.582542  1
  Ti  Ti52  1  0.327944  0.096443  0.606726  1
  Ti  Ti53  1  0.296842  0.887402  0.568511  1
  Ti  Ti54  1  0.349701  0.490828  0.589043  1
  Ti  Ti55  1  1.000116  0.174396  0.650593  1
  Ti  Ti56  1  0.016148  0.963608  0.614097  1
  Ti  Ti57  1  0.980456  0.569020  0.631928  1
  Ti  Ti58  1  0.651405  0.043489  0.656328  1
  Ti  Ti59  1  0.618727  0.834745  0.617746  1
  Ti  Ti60  1  0.684740  0.436227  0.638202  1
  Ti  Ti61  1  0.354436  0.910361  0.664134  1
  Ti  Ti62  1  0.379248  0.698698  0.628763  1
  Ti  Ti63  1  0.331339  0.305902  0.644245  1
  Ti  Ti64  1  0.016289  0.995935  0.704308  1
  Ti  Ti65  1  0.911368  0.783075  0.666984  1
  Ti  Ti66  1  0.037573  0.387171  0.686359  1
  Ti  Ti67  1  0.791049  0.862622  0.711704  1
  Ti  Ti68  1  0.813268  0.647257  0.677580  1
  Ti  Ti69  1  0.695709  0.256705  0.692201  1
  Ti  Ti70  1  0.341247  0.737781  0.713006  1
  Ti  Ti71  1  0.371367  0.518443  0.679510  1
  Ti  Ti72  1  0.371606  0.125642  0.698501  1
