# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71341734
_cell_length_b   13.16310171
_cell_length_c   46.92964957
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.90839858
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti72
_cell_volume   2868.2351868
_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  0.630282  0.190398  0.308375  1
  Ti  Ti2  1  0.953690  0.829153  0.291266  1
  Ti  Ti3  1  0.277951  0.470358  0.277351  1
  Ti  Ti4  1  0.511648  0.947884  0.297977  1
  Ti  Ti5  1  0.838093  0.592472  0.278733  1
  Ti  Ti6  1  0.187517  0.307723  0.317011  1
  Ti  Ti7  1  0.071156  0.069563  0.304081  1
  Ti  Ti8  1  0.393610  0.706702  0.286876  1
  Ti  Ti9  1  0.748896  0.431643  0.319117  1
  Ti  Ti10  1  0.662175  0.279088  0.363967  1
  Ti  Ti11  1  0.983888  0.916492  0.346904  1
  Ti  Ti12  1  0.307136  0.553901  0.330800  1
  Ti  Ti13  1  0.543334  0.037812  0.352759  1
  Ti  Ti14  1  0.866604  0.675633  0.334124  1
  Ti  Ti15  1  0.220075  0.397394  0.372396  1
  Ti  Ti16  1  0.101341  0.156397  0.359941  1
  Ti  Ti17  1  0.424636  0.795430  0.341737  1
  Ti  Ti18  1  0.780582  0.519327  0.376271  1
  Ti  Ti19  1  0.696181  0.366355  0.420257  1
  Ti  Ti20  1  0.018226  1.003824  0.402805  1
  Ti  Ti21  1  0.340324  0.641561  0.385394  1
  Ti  Ti22  1  0.578105  0.125667  0.408384  1
  Ti  Ti23  1  0.900073  0.762889  0.389933  1
  Ti  Ti24  1  0.254875  0.486429  0.427833  1
  Ti  Ti25  1  0.136498  0.245013  0.415436  1
  Ti  Ti26  1  0.459479  0.884087  0.396866  1
  Ti  Ti27  1  0.814611  0.607820  0.432677  1
  Ti  Ti28  1  0.729276  0.454194  0.476359  1
  Ti  Ti29  1  0.051690  0.091993  0.458407  1
  Ti  Ti30  1  0.374230  0.729866  0.440505  1
  Ti  Ti31  1  0.611063  0.213063  0.464376  1
  Ti  Ti32  1  0.933391  0.850449  0.445805  1
  Ti  Ti33  1  0.288472  0.575150  0.483305  1
  Ti  Ti34  1  0.169999  0.333439  0.470884  1
  Ti  Ti35  1  0.492856  0.971912  0.452475  1
  Ti  Ti36  1  0.847747  0.695866  0.488672  1
  Ti  Ti37  1  0.762346  0.541891  0.532278  1
  Ti  Ti38  1  0.085203  0.180364  0.513869  1
  Ti  Ti39  1  0.407455  0.817936  0.496081  1
  Ti  Ti40  1  0.644140  0.300739  0.520377  1
  Ti  Ti41  1  0.966731  0.938652  0.501448  1
  Ti  Ti42  1  0.321812  0.663354  0.538947  1
  Ti  Ti43  1  0.203512  0.421810  0.526346  1
  Ti  Ti44  1  0.525926  0.059609  0.508394  1
  Ti  Ti45  1  0.880973  0.783937  0.544248  1
  Ti  Ti46  1  0.795724  0.629716  0.587887  1
  Ti  Ti47  1  0.118704  0.268790  0.569317  1
  Ti  Ti48  1  0.440592  0.905983  0.552076  1
  Ti  Ti49  1  0.677098  0.388135  0.576368  1
  Ti  Ti50  1  1.000328  0.027374  0.556920  1
  Ti  Ti51  1  0.355130  0.750913  0.594820  1
  Ti  Ti52  1  0.236976  0.509979  0.581948  1
  Ti  Ti53  1  0.559021  0.147447  0.564496  1
  Ti  Ti54  1  0.914879  0.872242  0.599359  1
  Ti  Ti55  1  0.830566  0.718373  0.643015  1
  Ti  Ti56  1  0.153862  0.357405  0.624811  1
  Ti  Ti57  1  0.474620  0.994475  0.608481  1
  Ti  Ti58  1  0.711868  0.475990  0.631993  1
  Ti  Ti59  1  0.035128  0.116409  0.612357  1
  Ti  Ti60  1  0.388599  0.838170  0.650628  1
  Ti  Ti61  1  0.271314  0.597311  0.637849  1
  Ti  Ti62  1  0.593028  0.234715  0.620786  1
  Ti  Ti63  1  0.948067  0.959902  0.653953  1
  Ti  Ti64  1  0.861592  0.807101  0.697877  1
  Ti  Ti65  1  0.184047  0.444240  0.680671  1
  Ti  Ti66  1  0.506306  0.082159  0.665636  1
  Ti  Ti67  1  0.743554  0.565918  0.686776  1
  Ti  Ti68  1  0.067685  0.206080  0.667742  1
  Ti  Ti69  1  0.417109  0.921331  0.706019  1
  Ti  Ti70  1  0.301512  0.684650  0.693487  1
  Ti  Ti71  1  0.624920  0.323405  0.676377  1
  Ti  Ti72  1  0.977252  0.043445  0.707401  1
