# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.07257266
_cell_length_b   9.27511679
_cell_length_c   48.72840011
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti48
_cell_volume   1840.64646541
_cell_formula_units_Z   48
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  0.509398  0.679767  0.311576  1
  Ti  Ti2  1  0.509398  0.283261  0.275880  1
  Ti  Ti3  1  1.009398  0.483166  0.291911  1
  Ti  Ti4  1  1.009398  0.881005  0.331219  1
  Ti  Ti5  1  1.009398  0.783261  0.275880  1
  Ti  Ti6  1  1.009398  0.179767  0.311576  1
  Ti  Ti7  1  0.509398  0.381005  0.331219  1
  Ti  Ti8  1  0.509398  0.983166  0.291911  1
  Ti  Ti9  1  0.509398  0.479116  0.388745  1
  Ti  Ti10  1  0.509398  0.080183  0.349891  1
  Ti  Ti11  1  1.009398  0.279373  0.369379  1
  Ti  Ti12  1  1.009398  0.678276  0.407997  1
  Ti  Ti13  1  1.009398  0.580183  0.349891  1
  Ti  Ti14  1  1.009398  0.979116  0.388745  1
  Ti  Ti15  1  0.509398  0.178276  0.407997  1
  Ti  Ti16  1  0.509398  0.779373  0.369379  1
  Ti  Ti17  1  0.509398  0.276183  0.466027  1
  Ti  Ti18  1  0.509398  0.877554  0.427369  1
  Ti  Ti19  1  1.009398  0.076910  0.446703  1
  Ti  Ti20  1  1.009398  0.475482  0.485365  1
  Ti  Ti21  1  1.009398  0.377554  0.427369  1
  Ti  Ti22  1  1.009398  0.776183  0.466027  1
  Ti  Ti23  1  0.509398  0.975482  0.485365  1
  Ti  Ti24  1  0.509398  0.576910  0.446703  1
  Ti  Ti25  1  0.509398  0.073371  0.543359  1
  Ti  Ti26  1  0.509398  0.674798  0.504697  1
  Ti  Ti27  1  1.009398  0.874097  0.524035  1
  Ti  Ti28  1  1.009398  0.272726  0.562693  1
  Ti  Ti29  1  1.009398  0.174798  0.504697  1
  Ti  Ti30  1  1.009398  0.573371  0.543359  1
  Ti  Ti31  1  0.509398  0.772726  0.562693  1
  Ti  Ti32  1  0.509398  0.374097  0.524035  1
  Ti  Ti33  1  0.509398  0.870908  0.620683  1
  Ti  Ti34  1  0.509398  0.472005  0.582065  1
  Ti  Ti35  1  1.009398  0.671164  0.601317  1
  Ti  Ti36  1  1.009398  0.070097  0.640171  1
  Ti  Ti37  1  1.009398  0.972005  0.582065  1
  Ti  Ti38  1  1.009398  0.370908  0.620683  1
  Ti  Ti39  1  0.509398  0.570097  0.640171  1
  Ti  Ti40  1  0.509398  0.171164  0.601317  1
  Ti  Ti41  1  0.509398  0.667115  0.698151  1
  Ti  Ti42  1  0.509398  0.269276  0.658842  1
  Ti  Ti43  1  1.009398  0.470513  0.678486  1
  Ti  Ti44  1  1.009398  0.867019  0.714182  1
  Ti  Ti45  1  1.009398  0.769276  0.658842  1
  Ti  Ti46  1  1.009398  0.167115  0.698151  1
  Ti  Ti47  1  0.509398  0.367019  0.714182  1
  Ti  Ti48  1  0.509398  0.970513  0.678486  1
