# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.03501660
_cell_length_b   5.40141000
_cell_length_c   47.40219794
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   137.39164971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1392.74086895
_cell_formula_units_Z   36
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  0.158920  0.488257  0.278231  1
  Ti  Ti2  1  0.645421  0.787967  0.280572  1
  Ti  Ti3  1  0.049713  0.881362  0.299800  1
  Ti  Ti4  1  0.538163  0.188213  0.302907  1
  Ti  Ti5  1  0.896683  0.249154  0.328767  1
  Ti  Ti6  1  0.381083  0.552869  0.330933  1
  Ti  Ti7  1  0.775003  0.640829  0.352169  1
  Ti  Ti8  1  0.261288  0.945000  0.354594  1
  Ti  Ti9  1  0.630945  0.014505  0.379711  1
  Ti  Ti10  1  0.117228  0.318209  0.382210  1
  Ti  Ti11  1  0.504755  0.400511  0.404344  1
  Ti  Ti12  1  0.991466  0.705635  0.406844  1
  Ti  Ti13  1  0.365450  0.777755  0.431236  1
  Ti  Ti14  1  0.851417  0.081815  0.433693  1
  Ti  Ti15  1  0.236663  0.162499  0.456352  1
  Ti  Ti16  1  0.723082  0.467237  0.458816  1
  Ti  Ti17  1  0.099025  0.540655  0.482911  1
  Ti  Ti18  1  0.585325  0.845261  0.485400  1
  Ti  Ti19  1  0.969596  0.925010  0.508168  1
  Ti  Ti20  1  0.455896  0.229615  0.510657  1
  Ti  Ti21  1  0.831839  0.303034  0.534751  1
  Ti  Ti22  1  0.318259  0.607771  0.537215  1
  Ti  Ti23  1  0.703504  0.688456  0.559874  1
  Ti  Ti24  1  0.189471  0.992516  0.562332  1
  Ti  Ti25  1  0.563455  0.064636  0.586724  1
  Ti  Ti26  1  0.050166  0.369759  0.589223  1
  Ti  Ti27  1  0.437693  0.452061  0.611358  1
  Ti  Ti28  1  0.923977  0.755766  0.613857  1
  Ti  Ti29  1  0.293633  0.825271  0.638974  1
  Ti  Ti30  1  0.779918  0.129442  0.641398  1
  Ti  Ti31  1  0.173838  0.217402  0.662635  1
  Ti  Ti32  1  0.658238  0.521117  0.664800  1
  Ti  Ti33  1  0.016758  0.582058  0.690661  1
  Ti  Ti34  1  0.505208  0.888908  0.693768  1
  Ti  Ti35  1  0.909501  0.982304  0.712996  1
  Ti  Ti36  1  0.396001  0.282014  0.715337  1
