# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63554877
_cell_length_b   10.16977760
_cell_length_c   47.33211824
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2174.85522812
_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  0.476622  0.867304  0.293231  1
  Ti  Ti2  1  0.628673  0.173765  0.311048  1
  Ti  Ti3  1  0.781185  0.484299  0.328503  1
  Ti  Ti4  1  0.894363  0.702741  0.290201  1
  Ti  Ti5  1  0.048185  0.012317  0.304619  1
  Ti  Ti6  1  0.206156  0.330505  0.318002  1
  Ti  Ti7  1  0.934866  0.800074  0.344959  1
  Ti  Ti8  1  0.090175  0.117497  0.359046  1
  Ti  Ti9  1  0.245663  0.434306  0.373174  1
  Ti  Ti10  1  0.361224  0.645877  0.330765  1
  Ti  Ti11  1  0.514365  0.960178  0.349418  1
  Ti  Ti12  1  0.666243  0.273595  0.367149  1
  Ti  Ti13  1  0.396093  0.745652  0.388318  1
  Ti  Ti14  1  0.545603  0.061055  0.405776  1
  Ti  Ti15  1  0.693845  0.375280  0.423084  1
  Ti  Ti16  1  0.817956  0.586666  0.384087  1
  Ti  Ti17  1  0.968625  0.902946  0.399706  1
  Ti  Ti18  1  0.120726  0.219828  0.414314  1
  Ti  Ti19  1  0.841440  0.690059  0.439510  1
  Ti  Ti20  1  0.988238  1.005504  0.454964  1
  Ti  Ti21  1  0.135943  0.320652  0.470151  1
  Ti  Ti22  1  0.270516  0.534407  0.429395  1
  Ti  Ti23  1  0.417346  0.847859  0.444969  1
  Ti  Ti24  1  0.562496  0.162533  0.461824  1
  Ti  Ti25  1  0.283427  0.635665  0.485453  1
  Ti  Ti26  1  0.428954  0.949753  0.501086  1
  Ti  Ti27  1  0.574525  0.264810  0.517518  1
  Ti  Ti28  1  0.708578  0.477715  0.478695  1
  Ti  Ti29  1  0.854149  0.792773  0.495127  1
  Ti  Ti30  1  0.999676  0.106861  0.510760  1
  Ti  Ti31  1  0.720606  0.579992  0.534389  1
  Ti  Ti32  1  0.865757  0.894667  0.551244  1
  Ti  Ti33  1  0.012587  0.208118  0.566818  1
  Ti  Ti34  1  0.147160  0.421874  0.526062  1
  Ti  Ti35  1  0.294865  0.737021  0.541249  1
  Ti  Ti36  1  0.441663  0.052466  0.556703  1
  Ti  Ti37  1  0.162377  0.522698  0.581899  1
  Ti  Ti38  1  0.314478  0.839580  0.596507  1
  Ti  Ti39  1  0.465147  0.155859  0.612126  1
  Ti  Ti40  1  0.589258  0.367245  0.573129  1
  Ti  Ti41  1  0.737500  0.681470  0.590437  1
  Ti  Ti42  1  0.887010  0.996874  0.607895  1
  Ti  Ti43  1  0.616859  0.468931  0.629063  1
  Ti  Ti44  1  0.768738  0.782347  0.646795  1
  Ti  Ti45  1  0.921879  0.096648  0.665448  1
  Ti  Ti46  1  0.037439  0.308219  0.623039  1
  Ti  Ti47  1  0.192928  0.625028  0.637167  1
  Ti  Ti48  1  0.348237  0.942451  0.651254  1
  Ti  Ti49  1  0.076947  0.412020  0.678211  1
  Ti  Ti50  1  0.234918  0.730209  0.691594  1
  Ti  Ti51  1  0.388739  0.039785  0.706012  1
  Ti  Ti52  1  0.501917  0.258227  0.667710  1
  Ti  Ti53  1  0.654430  0.568761  0.685165  1
  Ti  Ti54  1  0.806481  0.875221  0.702982  1
