# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63169690
_cell_length_b   7.31680662
_cell_length_c   48.01076746
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti40
_cell_volume   1543.55323139
_cell_formula_units_Z   40
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  0.607542  0.335792  0.284798  1
  Ti  Ti2  1  0.819453  0.759977  0.303065  1
  Ti  Ti3  1  0.216988  0.554874  0.291339  1
  Ti  Ti4  1  0.431678  0.984544  0.313948  1
  Ti  Ti5  1  0.047334  0.215954  0.322436  1
  Ti  Ti6  1  0.265739  0.652928  0.347129  1
  Ti  Ti7  1  0.657112  0.435588  0.338213  1
  Ti  Ti8  1  0.879496  0.880503  0.358574  1
  Ti  Ti9  1  0.488636  0.098845  0.369789  1
  Ti  Ti10  1  0.713056  0.547794  0.394121  1
  Ti  Ti11  1  0.098758  0.319144  0.381070  1
  Ti  Ti12  1  0.323019  0.767783  0.404109  1
  Ti  Ti13  1  0.932764  0.987331  0.416221  1
  Ti  Ti14  1  0.155799  0.433520  0.438394  1
  Ti  Ti15  1  0.544228  0.210320  0.426998  1
  Ti  Ti16  1  0.766651  0.655284  0.450863  1
  Ti  Ti17  1  0.377643  0.877331  0.461524  1
  Ti  Ti18  1  0.599250  0.320666  0.484387  1
  Ti  Ti19  1  0.988955  0.100014  0.473066  1
  Ti  Ti20  1  0.210218  0.542661  0.495652  1
  Ti  Ti21  1  0.822125  0.766537  0.507597  1
  Ti  Ti22  1  0.043389  0.209185  0.530183  1
  Ti  Ti23  1  0.433093  0.988532  0.518862  1
  Ti  Ti24  1  0.654700  0.431868  0.541725  1
  Ti  Ti25  1  0.265693  0.653915  0.552386  1
  Ti  Ti26  1  0.488115  0.098879  0.576250  1
  Ti  Ti27  1  0.876544  0.875679  0.564855  1
  Ti  Ti28  1  0.099580  0.321868  0.587028  1
  Ti  Ti29  1  0.709324  0.541416  0.599140  1
  Ti  Ti30  1  0.933585  0.990055  0.622179  1
  Ti  Ti31  1  0.319287  0.761405  0.609128  1
  Ti  Ti32  1  0.543707  0.210353  0.633460  1
  Ti  Ti33  1  0.152847  0.428695  0.644675  1
  Ti  Ti34  1  0.375231  0.873611  0.665036  1
  Ti  Ti35  1  0.766604  0.656271  0.656120  1
  Ti  Ti36  1  0.985009  0.093245  0.680813  1
  Ti  Ti37  1  0.600666  0.324655  0.689301  1
  Ti  Ti38  1  0.815355  0.754325  0.711910  1
  Ti  Ti39  1  0.212890  0.549222  0.700184  1
  Ti  Ti40  1  0.424802  0.973406  0.718451  1
