# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91439573
_cell_length_b   12.20773490
_cell_length_c   47.94421544
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.14234694
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti44
_cell_volume   1693.56417656
_cell_formula_units_Z   44
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  0.376588  0.755807  0.278687  1
  Ti  Ti2  1  0.658482  0.191999  0.296738  1
  Ti  Ti3  1  0.258684  0.991643  0.281135  1
  Ti  Ti4  1  0.539509  0.430019  0.300605  1
  Ti  Ti5  1  0.942251  0.624488  0.318346  1
  Ti  Ti6  1  0.223284  0.062399  0.338713  1
  Ti  Ti7  1  0.822150  0.864704  0.322675  1
  Ti  Ti8  1  0.104539  0.299934  0.342283  1
  Ti  Ti9  1  0.506900  0.495176  0.359726  1
  Ti  Ti10  1  0.788727  0.931513  0.380790  1
  Ti  Ti11  1  0.387629  0.733749  0.363655  1
  Ti  Ti12  1  0.669577  0.169845  0.384241  1
  Ti  Ti13  1  0.071604  0.365757  0.401531  1
  Ti  Ti14  1  0.354076  0.800811  0.422528  1
  Ti  Ti15  1  0.952549  0.603903  0.405324  1
  Ti  Ti16  1  0.234704  0.039584  0.426248  1
  Ti  Ti17  1  0.636545  0.235867  0.443414  1
  Ti  Ti18  1  0.919150  0.670657  0.464343  1
  Ti  Ti19  1  0.517472  0.474050  0.447162  1
  Ti  Ti20  1  0.799916  0.909156  0.468076  1
  Ti  Ti21  1  0.201637  0.105678  0.485292  1
  Ti  Ti22  1  0.484187  0.540576  0.506193  1
  Ti  Ti23  1  0.082486  0.344014  0.489019  1
  Ti  Ti24  1  0.365036  0.778912  0.509920  1
  Ti  Ti25  1  0.766756  0.975434  0.527136  1
  Ti  Ti26  1  0.049200  0.410540  0.548050  1
  Ti  Ti27  1  0.647523  0.213933  0.530869  1
  Ti  Ti28  1  0.930128  0.648723  0.551797  1
  Ti  Ti29  1  0.331968  0.845005  0.568963  1
  Ti  Ti30  1  0.614123  0.280686  0.589888  1
  Ti  Ti31  1  0.212596  0.083779  0.572684  1
  Ti  Ti32  1  0.495068  0.518833  0.593680  1
  Ti  Ti33  1  0.897095  0.714745  0.610971  1
  Ti  Ti34  1  0.179044  0.150841  0.631556  1
  Ti  Ti35  1  0.777946  0.953077  0.614422  1
  Ti  Ti36  1  0.059772  0.389414  0.635485  1
  Ti  Ti37  1  0.462134  0.584656  0.652929  1
  Ti  Ti38  1  0.744523  0.019886  0.672537  1
  Ti  Ti39  1  0.343389  0.822191  0.656499  1
  Ti  Ti40  1  0.624421  0.260102  0.676866  1
  Ti  Ti41  1  0.027163  0.454571  0.694607  1
  Ti  Ti42  1  0.307989  0.892947  0.714077  1
  Ti  Ti43  1  0.908191  0.692591  0.698473  1
  Ti  Ti44  1  0.190085  0.128783  0.716524  1
