# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07193592
_cell_length_b   14.29439264
_cell_length_c   47.02570952
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.75204303
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti84
_cell_volume   3354.98576498
_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  0.173675  0.993760  0.286381  1
  Ti  Ti2  1  0.015641  0.315702  0.295160  1
  Ti  Ti3  1  0.848059  0.645605  0.305414  1
  Ti  Ti4  1  0.751198  0.153591  0.290064  1
  Ti  Ti5  1  0.592268  0.480603  0.300211  1
  Ti  Ti6  1  0.416982  0.811231  0.309319  1
  Ti  Ti7  1  0.688342  0.974456  0.313580  1
  Ti  Ti8  1  0.524198  0.306888  0.324621  1
  Ti  Ti9  1  0.359179  0.635319  0.334617  1
  Ti  Ti10  1  0.258153  0.141989  0.319543  1
  Ti  Ti11  1  0.091861  0.470830  0.329499  1
  Ti  Ti12  1  0.926813  0.801077  0.339295  1
  Ti  Ti13  1  0.193780  0.965607  0.345156  1
  Ti  Ti14  1  0.025250  0.295348  0.355341  1
  Ti  Ti15  1  0.861705  0.625156  0.365507  1
  Ti  Ti16  1  0.767432  0.129332  0.349718  1
  Ti  Ti17  1  0.602045  0.460560  0.360442  1
  Ti  Ti18  1  0.436906  0.789323  0.370439  1
  Ti  Ti19  1  0.696739  0.954053  0.376029  1
  Ti  Ti20  1  0.530962  0.283919  0.386761  1
  Ti  Ti21  1  0.366195  0.613979  0.397171  1
  Ti  Ti22  1  0.274309  0.119298  0.381602  1
  Ti  Ti23  1  0.109300  0.449114  0.391944  1
  Ti  Ti24  1  0.944026  0.778643  0.402193  1
  Ti  Ti25  1  0.201812  0.943088  0.407680  1
  Ti  Ti26  1  0.036018  0.273170  0.418210  1
  Ti  Ti27  1  0.871422  0.602872  0.428564  1
  Ti  Ti28  1  0.780621  0.108015  0.412847  1
  Ti  Ti29  1  0.615356  0.438003  0.423356  1
  Ti  Ti30  1  0.450487  0.767646  0.433726  1
  Ti  Ti31  1  0.706824  0.932401  0.439049  1
  Ti  Ti32  1  0.541621  0.262055  0.449561  1
  Ti  Ti33  1  0.376824  0.591890  0.460005  1
  Ti  Ti34  1  0.286162  0.097209  0.444332  1
  Ti  Ti35  1  0.121252  0.427048  0.454779  1
  Ti  Ti36  1  0.956303  0.756715  0.465175  1
  Ti  Ti37  1  0.212196  0.921448  0.470509  1
  Ti  Ti38  1  0.047138  0.251164  0.480981  1
  Ti  Ti39  1  0.882287  0.580942  0.491410  1
  Ti  Ti40  1  0.791780  0.086291  0.475721  1
  Ti  Ti41  1  0.626901  0.416054  0.486177  1
  Ti  Ti42  1  0.461933  0.745756  0.496635  1
  Ti  Ti43  1  0.717676  0.910528  0.501927  1
  Ti  Ti44  1  0.552708  0.240230  0.512385  1
  Ti  Ti45  1  0.387829  0.569993  0.522841  1
  Ti  Ti46  1  0.297322  0.075342  0.507152  1
  Ti  Ti47  1  0.132471  0.405119  0.517581  1
  Ti  Ti48  1  0.967413  0.734836  0.528053  1
  Ti  Ti49  1  0.223306  0.899569  0.533387  1
  Ti  Ti50  1  0.058357  0.229236  0.543783  1
  Ti  Ti51  1  0.893447  0.559075  0.554230  1
  Ti  Ti52  1  0.802785  0.064394  0.538557  1
  Ti  Ti53  1  0.637988  0.394229  0.549001  1
  Ti  Ti54  1  0.472785  0.723883  0.559513  1
  Ti  Ti55  1  0.729122  0.888638  0.564836  1
  Ti  Ti56  1  0.564253  0.218280  0.575206  1
  Ti  Ti57  1  0.398988  0.548269  0.585715  1
  Ti  Ti58  1  0.308187  0.053412  0.569998  1
  Ti  Ti59  1  0.143591  0.383113  0.580352  1
  Ti  Ti60  1  0.977797  0.713196  0.590883  1
  Ti  Ti61  1  0.235583  0.877641  0.596369  1
  Ti  Ti62  1  0.070309  0.207169  0.606618  1
  Ti  Ti63  1  0.905300  0.536986  0.616960  1
  Ti  Ti64  1  0.813414  0.042305  0.601391  1
  Ti  Ti65  1  0.648647  0.372365  0.611801  1
  Ti  Ti66  1  0.482870  0.702231  0.622533  1
  Ti  Ti67  1  0.742703  0.866961  0.628123  1
  Ti  Ti68  1  0.577564  0.195723  0.638120  1
  Ti  Ti69  1  0.412177  0.526952  0.648844  1
  Ti  Ti70  1  0.317904  0.031128  0.633056  1
  Ti  Ti71  1  0.154359  0.360936  0.643221  1
  Ti  Ti72  1  0.985829  0.690677  0.653406  1
  Ti  Ti73  1  0.252796  0.855206  0.659267  1
  Ti  Ti74  1  0.087748  0.185454  0.669063  1
  Ti  Ti75  1  0.921456  0.514295  0.679019  1
  Ti  Ti76  1  0.820430  0.020964  0.663945  1
  Ti  Ti77  1  0.655411  0.349396  0.673941  1
  Ti  Ti78  1  0.491267  0.681827  0.684982  1
  Ti  Ti79  1  0.762627  0.845053  0.689243  1
  Ti  Ti80  1  0.587341  0.175681  0.698351  1
  Ti  Ti81  1  0.428411  0.502693  0.708498  1
  Ti  Ti82  1  0.331550  0.010678  0.693148  1
  Ti  Ti83  1  0.163968  0.340581  0.703402  1
  Ti  Ti84  1  0.005934  0.662523  0.712181  1
