# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.98640033
_cell_length_b   9.71263744
_cell_length_c   47.44253119
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   114.84795711
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti81
_cell_volume   3339.39167569
_cell_formula_units_Z   81
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  0.800670  0.537732  0.293904  1
  Ti  Ti2  1  0.932418  0.848927  0.306048  1
  Ti  Ti3  1  0.079422  0.162097  0.321307  1
  Ti  Ti4  1  0.210455  0.733641  0.302013  1
  Ti  Ti5  1  0.361374  0.054975  0.315098  1
  Ti  Ti6  1  0.507728  0.371446  0.331157  1
  Ti  Ti7  1  0.513087  0.641756  0.296866  1
  Ti  Ti8  1  0.647489  0.953942  0.311812  1
  Ti  Ti9  1  0.799828  0.274991  0.324966  1
  Ti  Ti10  1  0.225497  0.475688  0.335016  1
  Ti  Ti11  1  0.391839  0.784119  0.354085  1
  Ti  Ti12  1  0.545800  0.098434  0.367766  1
  Ti  Ti13  1  0.677406  0.684581  0.348918  1
  Ti  Ti14  1  0.829109  0.995192  0.364368  1
  Ti  Ti15  1  0.979326  0.307959  0.378847  1
  Ti  Ti16  1  0.956963  0.582950  0.346226  1
  Ti  Ti17  1  0.113611  0.893906  0.358623  1
  Ti  Ti18  1  0.261379  0.201453  0.374459  1
  Ti  Ti19  1  0.690827  0.405812  0.385083  1
  Ti  Ti20  1  0.857610  0.720681  0.401347  1
  Ti  Ti21  1  1.008909  0.032171  0.417343  1
  Ti  Ti22  1  0.139371  0.617694  0.397403  1
  Ti  Ti23  1  0.294064  0.930261  0.411507  1
  Ti  Ti24  1  0.440963  0.238834  0.427870  1
  Ti  Ti25  1  0.412171  0.511816  0.389016  1
  Ti  Ti26  1  0.573657  0.822442  0.406762  1
  Ti  Ti27  1  0.724731  0.135635  0.421602  1
  Ti  Ti28  1  0.160189  0.344783  0.432438  1
  Ti  Ti29  1  0.318019  0.655688  0.449610  1
  Ti  Ti30  1  0.471946  0.967322  0.464984  1
  Ti  Ti31  1  0.595294  0.550723  0.442811  1
  Ti  Ti32  1  0.753533  0.861945  0.459837  1
  Ti  Ti33  1  0.905589  0.174234  0.475307  1
  Ti  Ti34  1  0.876077  0.446234  0.438211  1
  Ti  Ti35  1  0.036998  0.759382  0.454404  1
  Ti  Ti36  1  0.188170  0.070172  0.470495  1
  Ti  Ti37  1  0.623014  0.278029  0.480834  1
  Ti  Ti38  1  0.776533  0.589572  0.496378  1
  Ti  Ti39  1  0.934006  0.901154  0.512975  1
  Ti  Ti40  1  0.058531  0.485837  0.491291  1
  Ti  Ti41  1  0.216003  0.797419  0.507888  1
  Ti  Ti42  1  0.369523  0.108962  0.523431  1
  Ti  Ti43  1  0.340809  0.382171  0.485884  1
  Ti  Ti44  1  0.496268  0.693496  0.502133  1
  Ti  Ti45  1  0.651728  0.004820  0.518381  1
  Ti  Ti46  1  0.086948  0.212758  0.528958  1
  Ti  Ti47  1  0.239004  0.525046  0.544429  1
  Ti  Ti48  1  0.397242  0.836268  0.561454  1
  Ti  Ti49  1  0.520590  0.419670  0.539282  1
  Ti  Ti50  1  0.674517  0.731304  0.554655  1
  Ti  Ti51  1  0.832347  0.042208  0.571827  1
  Ti  Ti52  1  0.804366  0.316819  0.533770  1
  Ti  Ti53  1  0.955539  0.627610  0.549862  1
  Ti  Ti54  1  0.116460  0.940758  0.566054  1
  Ti  Ti55  1  0.551574  0.148158  0.576395  1
  Ti  Ti56  1  0.698473  0.456731  0.592759  1
  Ti  Ti57  1  0.853166  0.769297  0.606862  1
  Ti  Ti58  1  0.983627  0.354821  0.586922  1
  Ti  Ti59  1  0.134926  0.666310  0.602919  1
  Ti  Ti60  1  0.301710  0.981180  0.619183  1
  Ti  Ti61  1  0.267806  0.251356  0.582663  1
  Ti  Ti62  1  0.418880  0.564549  0.597504  1
  Ti  Ti63  1  0.580365  0.875175  0.615249  1
  Ti  Ti64  1  0.013211  0.079032  0.625419  1
  Ti  Ti65  1  0.163428  0.391800  0.639897  1
  Ti  Ti66  1  0.315130  0.702411  0.655348  1
  Ti  Ti67  1  0.446736  0.288557  0.636499  1
  Ti  Ti68  1  0.600698  0.602873  0.650181  1
  Ti  Ti69  1  0.767039  0.911304  0.669249  1
  Ti  Ti70  1  0.731158  0.185538  0.629806  1
  Ti  Ti71  1  0.878926  0.493085  0.645642  1
  Ti  Ti72  1  0.035574  0.804041  0.658039  1
  Ti  Ti73  1  0.484808  0.015546  0.673109  1
  Ti  Ti74  1  0.631163  0.332017  0.689168  1
  Ti  Ti75  1  0.782081  0.653350  0.702252  1
  Ti  Ti76  1  0.913114  0.224895  0.682958  1
  Ti  Ti77  1  0.060118  0.538065  0.698217  1
  Ti  Ti78  1  0.191867  0.849259  0.710361  1
  Ti  Ti79  1  0.192708  0.112000  0.679299  1
  Ti  Ti80  1  0.345047  0.433049  0.692453  1
  Ti  Ti81  1  0.479449  0.745236  0.707399  1
