# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.25263306
_cell_length_b   11.77134558
_cell_length_c   46.10759592
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti120
_cell_volume   4619.43216638
_cell_formula_units_Z   120
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  0.154173  0.152839  0.287716  1
  Ti  Ti2  1  0.654595  0.153004  0.287701  1
  Ti  Ti3  1  0.231404  0.498990  0.282731  1
  Ti  Ti4  1  0.106832  0.748181  0.308932  1
  Ti  Ti5  1  0.734038  0.493571  0.282132  1
  Ti  Ti6  1  0.603726  0.754489  0.308663  1
  Ti  Ti7  1  0.354249  0.253245  0.309919  1
  Ti  Ti8  1  0.851465  0.258877  0.310999  1
  Ti  Ti9  1  0.412156  0.645382  0.284968  1
  Ti  Ti10  1  0.479545  1.002622  0.282417  1
  Ti  Ti11  1  0.904346  0.645286  0.284971  1
  Ti  Ti12  1  0.772970  0.913130  0.313128  1
  Ti  Ti13  1  0.970441  0.021019  0.338182  1
  Ti  Ti14  1  0.470160  0.021604  0.340422  1
  Ti  Ti15  1  0.025084  0.413491  0.313875  1
  Ti  Ti16  1  0.892579  0.678133  0.343847  1
  Ti  Ti17  1  0.523196  0.413517  0.313879  1
  Ti  Ti18  1  0.391226  0.678078  0.343847  1
  Ti  Ti19  1  0.142595  0.179272  0.346024  1
  Ti  Ti20  1  0.639997  0.179280  0.346017  1
  Ti  Ti21  1  0.220119  0.521616  0.341285  1
  Ti  Ti22  1  0.275834  0.913037  0.313150  1
  Ti  Ti23  1  0.719383  0.523144  0.340791  1
  Ti  Ti24  1  0.587343  0.787268  0.370017  1
  Ti  Ti25  1  0.760185  0.943495  0.374606  1
  Ti  Ti26  1  0.258296  0.943504  0.374615  1
  Ti  Ti27  1  0.836884  0.288158  0.371044  1
  Ti  Ti28  1  0.703389  0.555246  0.402572  1
  Ti  Ti29  1  0.336638  0.288659  0.371126  1
  Ti  Ti30  1  0.203348  0.555330  0.402545  1
  Ti  Ti31  1  0.954233  0.053552  0.401002  1
  Ti  Ti32  1  0.454103  0.053838  0.401892  1
  Ti  Ti33  1  0.008016  0.444440  0.375752  1
  Ti  Ti34  1  0.086881  0.788229  0.370098  1
  Ti  Ti35  1  0.509490  0.444432  0.375754  1
  Ti  Ti36  1  0.376049  0.709894  0.405919  1
  Ti  Ti37  1  0.571530  0.819043  0.432376  1
  Ti  Ti38  1  0.071490  0.819124  0.432378  1
  Ti  Ti39  1  0.626006  0.210030  0.407267  1
  Ti  Ti40  1  0.493137  0.475803  0.437854  1
  Ti  Ti41  1  0.125996  0.210033  0.407270  1
  Ti  Ti42  1  0.993150  0.475798  0.437853  1
  Ti  Ti43  1  0.743953  0.974748  0.437122  1
  Ti  Ti44  1  0.243408  0.974747  0.437125  1
  Ti  Ti45  1  0.821019  0.320042  0.432928  1
  Ti  Ti46  1  0.876101  0.709893  0.405919  1
  Ti  Ti47  1  0.320990  0.320109  0.432963  1
  Ti  Ti48  1  0.188348  0.585461  0.464412  1
  Ti  Ti49  1  0.361048  0.740230  0.468074  1
  Ti  Ti50  1  0.860894  0.740232  0.468072  1
  Ti  Ti51  1  0.438530  0.085107  0.464005  1
  Ti  Ti52  1  0.306013  0.350203  0.494989  1
  Ti  Ti53  1  0.938531  0.085095  0.463737  1
  Ti  Ti54  1  0.806073  0.350075  0.494920  1
  Ti  Ti55  1  0.556074  0.850086  0.494512  1
  Ti  Ti56  1  0.056182  0.849864  0.494334  1
  Ti  Ti57  1  0.610621  0.240763  0.468787  1
  Ti  Ti58  1  0.688357  0.585448  0.464433  1
  Ti  Ti59  1  0.110785  0.240762  0.468790  1
  Ti  Ti60  1  0.978050  0.506016  0.499880  1
  Ti  Ti61  1  0.173124  0.616043  0.526259  1
  Ti  Ti62  1  0.673138  0.616020  0.526312  1
  Ti  Ti63  1  0.227848  0.006051  0.499563  1
  Ti  Ti64  1  0.095823  0.270882  0.530578  1
  Ti  Ti65  1  0.728333  0.006055  0.499563  1
  Ti  Ti66  1  0.595595  0.270878  0.530577  1
  Ti  Ti67  1  0.345945  0.770854  0.530116  1
  Ti  Ti68  1  0.845506  0.770852  0.530112  1
  Ti  Ti69  1  0.423329  0.115623  0.526331  1
  Ti  Ti70  1  0.478160  0.506018  0.499881  1
  Ti  Ti71  1  0.923189  0.115914  0.526381  1
  Ti  Ti72  1  0.790773  0.380812  0.556946  1
  Ti  Ti73  1  0.962752  0.536773  0.561886  1
  Ti  Ti74  1  0.462840  0.536778  0.561887  1
  Ti  Ti75  1  0.041246  0.879862  0.555978  1
  Ti  Ti76  1  0.907334  0.147752  0.588920  1
  Ti  Ti77  1  0.540869  0.880628  0.556553  1
  Ti  Ti78  1  0.407789  0.146826  0.588575  1
  Ti  Ti79  1  0.158016  0.646403  0.588201  1
  Ti  Ti80  1  0.658020  0.646389  0.588232  1
  Ti  Ti81  1  0.212335  0.036769  0.562136  1
  Ti  Ti82  1  0.290695  0.380984  0.557022  1
  Ti  Ti83  1  0.713253  0.036777  0.562140  1
  Ti  Ti84  1  0.580008  0.301831  0.592392  1
  Ti  Ti85  1  0.775432  0.411639  0.619151  1
  Ti  Ti86  1  0.275279  0.411969  0.619282  1
  Ti  Ti87  1  0.830418  0.800880  0.592057  1
  Ti  Ti88  1  0.697142  0.069010  0.624818  1
  Ti  Ti89  1  0.331142  0.800888  0.592067  1
  Ti  Ti90  1  0.196366  0.068969  0.624809  1
  Ti  Ti91  1  0.947137  0.567714  0.624076  1
  Ti  Ti92  1  0.447693  0.567693  0.624079  1
  Ti  Ti93  1  0.025879  0.910683  0.617066  1
  Ti  Ti94  1  0.080593  0.301830  0.592392  1
  Ti  Ti95  1  0.525362  0.911839  0.618500  1
  Ti  Ti96  1  0.391998  0.178436  0.650769  1
  Ti  Ti97  1  0.564364  0.333252  0.654085  1
  Ti  Ti98  1  0.064930  0.333298  0.654078  1
  Ti  Ti99  1  0.642516  0.677575  0.650137  1
  Ti  Ti100  1  0.510006  0.942750  0.680514  1
  Ti  Ti101  1  0.142070  0.678484  0.650188  1
  Ti  Ti102  1  0.012170  0.938339  0.677229  1
  Ti  Ti103  1  0.760231  0.442217  0.681323  1
  Ti  Ti104  1  0.260625  0.441408  0.681143  1
  Ti  Ti105  1  0.813142  0.832938  0.653557  1
  Ti  Ti106  1  0.891179  0.180280  0.651477  1
  Ti  Ti107  1  0.316546  0.832967  0.653568  1
  Ti  Ti108  1  0.174441  0.102295  0.687078  1
  Ti  Ti109  1  0.379075  0.204667  0.709455  1
  Ti  Ti110  1  0.875856  0.210827  0.711719  1
  Ti  Ti111  1  0.428088  0.602988  0.685403  1
  Ti  Ti112  1  0.303090  0.860497  0.712862  1
  Ti  Ti113  1  0.931610  0.602955  0.685406  1
  Ti  Ti114  1  0.799295  0.860496  0.712856  1
  Ti  Ti115  1  0.549489  0.358990  0.712502  1
  Ti  Ti116  1  0.054347  0.358815  0.712494  1
  Ti  Ti117  1  0.629018  0.704681  0.709005  1
  Ti  Ti118  1  0.685955  0.102267  0.687075  1
  Ti  Ti119  1  0.122978  0.716799  0.710348  1
  Ti  Ti120  1  0.994957  0.973252  0.733346  1
