# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.94405949
_cell_length_b   5.40232355
_cell_length_c   46.96823696
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   42.58546526
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti36
_cell_volume   1364.00697927
_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  0.761744  0.420631  0.280876  1
  Ti  Ti2  1  0.948723  0.724061  0.285051  1
  Ti  Ti3  1  0.256147  0.828752  0.299952  1
  Ti  Ti4  1  0.441865  0.123429  0.304138  1
  Ti  Ti5  1  0.714729  0.208962  0.330308  1
  Ti  Ti6  1  0.902121  0.494228  0.333507  1
  Ti  Ti7  1  0.194428  0.607768  0.351372  1
  Ti  Ti8  1  0.385264  0.895871  0.355758  1
  Ti  Ti9  1  0.663490  0.985678  0.380581  1
  Ti  Ti10  1  0.856314  0.269797  0.385379  1
  Ti  Ti11  1  0.144787  0.381848  0.404009  1
  Ti  Ti12  1  0.337884  0.665061  0.408403  1
  Ti  Ti13  1  0.614670  0.762214  0.432323  1
  Ti  Ti14  1  0.806840  0.044391  0.436865  1
  Ti  Ti15  1  0.094265  0.154498  0.456135  1
  Ti  Ti16  1  0.286349  0.438750  0.460704  1
  Ti  Ti17  1  0.565367  0.535843  0.484070  1
  Ti  Ti18  1  0.757649  0.818868  0.488659  1
  Ti  Ti19  1  0.044298  0.928945  0.508148  1
  Ti  Ti20  1  0.236580  0.211969  0.512736  1
  Ti  Ti21  1  0.515598  0.309062  0.536103  1
  Ti  Ti22  1  0.707682  0.593315  0.540671  1
  Ti  Ti23  1  0.995107  0.703421  0.559942  1
  Ti  Ti24  1  0.187278  0.985598  0.564483  1
  Ti  Ti25  1  0.464063  0.082752  0.588403  1
  Ti  Ti26  1  0.657160  0.365964  0.592797  1
  Ti  Ti27  1  0.945633  0.478016  0.611427  1
  Ti  Ti28  1  0.138457  0.762134  0.616226  1
  Ti  Ti29  1  0.416684  0.851942  0.641049  1
  Ti  Ti30  1  0.607519  0.140045  0.645435  1
  Ti  Ti31  1  0.899826  0.253585  0.663299  1
  Ti  Ti32  1  0.087218  0.538851  0.666498  1
  Ti  Ti33  1  0.360082  0.624383  0.692668  1
  Ti  Ti34  1  0.545800  0.919060  0.696854  1
  Ti  Ti35  1  0.853224  0.023751  0.711755  1
  Ti  Ti36  1  0.040203  0.327181  0.715931  1
