# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55525733
_cell_length_b   9.54137552
_cell_length_c   48.39564325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   103.70811032
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2043.52494398
_cell_formula_units_Z   54
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  0.898129  0.334971  0.265325  1
  Ti  Ti2  1  0.054382  0.647449  0.286356  1
  Ti  Ti3  1  0.189099  0.916781  0.313695  1
  Ti  Ti4  1  0.946480  0.431929  0.327362  1
  Ti  Ti5  1  0.676331  0.891113  0.279225  1
  Ti  Ti6  1  0.805320  0.148777  0.306519  1
  Ti  Ti7  1  0.443923  0.427005  0.292570  1
  Ti  Ti8  1  0.572896  0.684484  0.321034  1
  Ti  Ti9  1  0.298734  0.135281  0.273163  1
  Ti  Ti10  1  0.333641  0.205838  0.335305  1
  Ti  Ti11  1  0.465968  0.471035  0.362929  1
  Ti  Ti12  1  0.601807  0.742631  0.389514  1
  Ti  Ti13  1  0.360990  0.260929  0.406245  1
  Ti  Ti14  1  0.082459  0.703720  0.355071  1
  Ti  Ti15  1  0.225441  0.989893  0.379407  1
  Ti  Ti16  1  0.843632  0.225986  0.371814  1
  Ti  Ti17  1  0.979903  0.499018  0.398087  1
  Ti  Ti18  1  0.704728  0.948249  0.347381  1
  Ti  Ti19  1  0.738922  0.017003  0.415177  1
  Ti  Ti20  1  0.876032  0.291206  0.440981  1
  Ti  Ti21  1  0.014293  0.568129  0.466334  1
  Ti  Ti22  1  0.771287  0.082084  0.483802  1
  Ti  Ti23  1  0.497524  0.534429  0.432047  1
  Ti  Ti24  1  0.633990  0.807333  0.458059  1
  Ti  Ti25  1  0.256356  0.052054  0.449256  1
  Ti  Ti26  1  0.393545  0.326435  0.474948  1
  Ti  Ti27  1  0.119841  0.778886  0.423031  1
  Ti  Ti28  1  0.151849  0.843241  0.492149  1
  Ti  Ti29  1  0.289147  0.117991  0.517893  1
  Ti  Ti30  1  0.425612  0.390896  0.543904  1
  Ti  Ti31  1  0.184214  0.908322  0.560775  1
  Ti  Ti32  1  0.908843  0.357196  0.509617  1
  Ti  Ti33  1  0.047105  0.634119  0.534970  1
  Ti  Ti34  1  0.666781  0.873271  0.526696  1
  Ti  Ti35  1  0.803295  0.146439  0.552920  1
  Ti  Ti36  1  0.529591  0.598890  0.501004  1
  Ti  Ti37  1  0.562146  0.664396  0.569706  1
  Ti  Ti38  1  0.697695  0.935431  0.596545  1
  Ti  Ti39  1  0.840678  0.221605  0.620881  1
  Ti  Ti40  1  0.589495  0.719487  0.640647  1
  Ti  Ti41  1  0.321329  0.182694  0.586437  1
  Ti  Ti42  1  0.457168  0.454290  0.613022  1
  Ti  Ti43  1  0.079504  0.699339  0.604137  1
  Ti  Ti44  1  0.218409  0.977076  0.628570  1
  Ti  Ti45  1  0.943233  0.426307  0.577864  1
  Ti  Ti46  1  0.976656  0.493396  0.648589  1
  Ti  Ti47  1  0.117816  0.776548  0.669433  1
  Ti  Ti48  1  0.246805  0.034212  0.696726  1
  Ti  Ti49  1  0.025007  0.590354  0.710626  1
  Ti  Ti50  1  0.734037  1.008544  0.662256  1
  Ti  Ti51  1  0.868754  0.277876  0.689596  1
  Ti  Ti52  1  0.479213  0.498320  0.683382  1
  Ti  Ti53  1  0.624402  0.790043  0.702789  1
  Ti  Ti54  1  0.350240  0.240841  0.654918  1
