# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.10775690
_cell_length_b   14.41684540
_cell_length_c   45.79247508
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.77614350
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti84
_cell_volume   3318.51225347
_cell_formula_units_Z   84
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  0.421836  0.996035  0.278429  1
  Ti  Ti2  1  0.262786  0.322077  0.287839  1
  Ti  Ti3  1  0.097799  0.650859  0.298316  1
  Ti  Ti4  1  0.999810  0.158923  0.282626  1
  Ti  Ti5  1  0.838466  0.486544  0.293076  1
  Ti  Ti6  1  0.671093  0.815507  0.302950  1
  Ti  Ti7  1  0.931789  0.979917  0.307922  1
  Ti  Ti8  1  0.766795  0.311844  0.319242  1
  Ti  Ti9  1  0.602343  0.640721  0.329675  1
  Ti  Ti10  1  0.509920  0.147067  0.314003  1
  Ti  Ti11  1  0.344278  0.476135  0.324426  1
  Ti  Ti12  1  0.179610  0.805984  0.334598  1
  Ti  Ti13  1  0.436566  0.970487  0.340572  1
  Ti  Ti14  1  0.269831  0.300500  0.351151  1
  Ti  Ti15  1  0.105949  0.630304  0.361699  1
  Ti  Ti16  1  0.016986  0.134882  0.345514  1
  Ti  Ti17  1  0.852245  0.465510  0.356466  1
  Ti  Ti18  1  0.687190  0.794760  0.366913  1
  Ti  Ti19  1  0.940876  0.959494  0.372428  1
  Ti  Ti20  1  0.775790  0.289336  0.383435  1
  Ti  Ti21  1  0.611009  0.619304  0.394156  1
  Ti  Ti22  1  0.522880  0.124514  0.378046  1
  Ti  Ti23  1  0.358101  0.454431  0.388819  1
  Ti  Ti24  1  0.192958  0.784076  0.399398  1
  Ti  Ti25  1  0.446322  0.948692  0.404983  1
  Ti  Ti26  1  0.281194  0.278578  0.415800  1
  Ti  Ti27  1  0.116450  0.608419  0.426500  1
  Ti  Ti28  1  0.028416  0.113578  0.410327  1
  Ti  Ti29  1  0.863535  0.443495  0.421160  1
  Ti  Ti30  1  0.698617  0.773195  0.431845  1
  Ti  Ti31  1  0.951675  0.937977  0.437277  1
  Ti  Ti32  1  0.786721  0.267708  0.448121  1
  Ti  Ti33  1  0.621891  0.597542  0.458881  1
  Ti  Ti34  1  0.533846  0.102827  0.442728  1
  Ti  Ti35  1  0.368996  0.432659  0.453509  1
  Ti  Ti36  1  0.204069  0.762381  0.464232  1
  Ti  Ti37  1  0.457109  0.927148  0.469689  1
  Ti  Ti38  1  0.292154  0.256894  0.480479  1
  Ti  Ti39  1  0.127317  0.586702  0.491237  1
  Ti  Ti40  1  0.039291  0.091995  0.475071  1
  Ti  Ti41  1  0.874436  0.421807  0.485860  1
  Ti  Ti42  1  0.709524  0.751532  0.496634  1
  Ti  Ti43  1  0.962518  0.916335  0.502052  1
  Ti  Ti44  1  0.797607  0.246060  0.512826  1
  Ti  Ti45  1  0.632751  0.575872  0.523615  1
  Ti  Ti46  1  0.544725  0.081165  0.507449  1
  Ti  Ti47  1  0.379888  0.410973  0.518207  1
  Ti  Ti48  1  0.214933  0.740719  0.528997  1
  Ti  Ti49  1  0.467973  0.905486  0.534454  1
  Ti  Ti50  1  0.303046  0.235208  0.545177  1
  Ti  Ti51  1  0.138196  0.565040  0.555958  1
  Ti  Ti52  1  0.050151  0.070325  0.539805  1
  Ti  Ti53  1  0.885321  0.400159  0.550565  1
  Ti  Ti54  1  0.720367  0.729890  0.561409  1
  Ti  Ti55  1  0.973425  0.894672  0.566841  1
  Ti  Ti56  1  0.808508  0.224372  0.577526  1
  Ti  Ti57  1  0.643626  0.554289  0.588359  1
  Ti  Ti58  1  0.555592  0.059448  0.572186  1
  Ti  Ti59  1  0.390848  0.389289  0.582886  1
  Ti  Ti60  1  0.225720  0.719175  0.593703  1
  Ti  Ti61  1  0.479085  0.883791  0.599288  1
  Ti  Ti62  1  0.313941  0.213436  0.609867  1
  Ti  Ti63  1  0.149163  0.543353  0.620640  1
  Ti  Ti64  1  0.061033  0.048563  0.604530  1
  Ti  Ti65  1  0.896252  0.378531  0.615251  1
  Ti  Ti66  1  0.731166  0.708373  0.626258  1
  Ti  Ti67  1  0.984853  0.873107  0.631773  1
  Ti  Ti68  1  0.819797  0.202357  0.642219  1
  Ti  Ti69  1  0.655056  0.532985  0.653172  1
  Ti  Ti70  1  0.566093  0.037563  0.636986  1
  Ti  Ti71  1  0.402211  0.367367  0.647535  1
  Ti  Ti72  1  0.235476  0.697380  0.658114  1
  Ti  Ti73  1  0.492432  0.861883  0.664088  1
  Ti  Ti74  1  0.327764  0.191732  0.674260  1
  Ti  Ti75  1  0.162122  0.520800  0.684683  1
  Ti  Ti76  1  0.069699  0.027146  0.669011  1
  Ti  Ti77  1  0.905247  0.356023  0.679444  1
  Ti  Ti78  1  0.740253  0.687950  0.690764  1
  Ti  Ti79  1  1.000949  0.852360  0.695736  1
  Ti  Ti80  1  0.833576  0.181323  0.705610  1
  Ti  Ti81  1  0.672232  0.508944  0.716060  1
  Ti  Ti82  1  0.574243  0.017008  0.700370  1
  Ti  Ti83  1  0.409256  0.345790  0.710847  1
  Ti  Ti84  1  0.250207  0.671832  0.720257  1
