# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.96803918
_cell_length_b   7.36900219
_cell_length_c   47.66977652
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   123.64474431
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti60
_cell_volume   2330.13817183
_cell_formula_units_Z   60
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  0.549829  0.063726  0.281054  1
  Ti  Ti2  1  0.740148  0.498141  0.299797  1
  Ti  Ti3  1  0.998184  0.339078  0.293014  1
  Ti  Ti4  1  0.203259  0.784829  0.313578  1
  Ti  Ti5  1  0.285435  0.214102  0.286505  1
  Ti  Ti6  1  0.478324  0.654044  0.305923  1
  Ti  Ti7  1  0.943974  0.933045  0.320141  1
  Ti  Ti8  1  0.169163  0.357382  0.345019  1
  Ti  Ti9  1  0.432544  0.214613  0.338566  1
  Ti  Ti10  1  0.640171  0.647951  0.359666  1
  Ti  Ti11  1  0.692511  0.073766  0.333324  1
  Ti  Ti12  1  0.904766  0.503126  0.353046  1
  Ti  Ti13  1  0.369631  0.783194  0.367745  1
  Ti  Ti14  1  0.592562  0.215590  0.391367  1
  Ti  Ti15  1  0.857476  0.074766  0.384554  1
  Ti  Ti16  1  0.064595  0.502536  0.406546  1
  Ti  Ti17  1  0.111697  0.931275  0.374439  1
  Ti  Ti18  1  0.328824  0.359151  0.398414  1
  Ti  Ti19  1  0.802637  0.647996  0.413434  1
  Ti  Ti20  1  0.016494  0.076016  0.437287  1
  Ti  Ti21  1  0.275436  0.932431  0.428541  1
  Ti  Ti22  1  0.490130  0.361672  0.451823  1
  Ti  Ti23  1  0.537523  0.788375  0.421252  1
  Ti  Ti24  1  0.752537  0.217627  0.444676  1
  Ti  Ti25  1  0.227213  0.504982  0.459725  1
  Ti  Ti26  1  0.438267  0.933949  0.482377  1
  Ti  Ti27  1  0.701050  0.790775  0.474848  1
  Ti  Ti28  1  0.914217  0.220227  0.497980  1
  Ti  Ti29  1  0.964796  0.648715  0.467149  1
  Ti  Ti30  1  0.177363  0.077632  0.490291  1
  Ti  Ti31  1  0.651446  0.363879  0.505232  1
  Ti  Ti32  1  0.864614  0.793331  0.528364  1
  Ti  Ti33  1  0.127396  0.650157  0.520835  1
  Ti  Ti34  1  0.338451  0.079124  0.543487  1
  Ti  Ti35  1  0.388301  0.506474  0.512921  1
  Ti  Ti36  1  0.600868  0.935391  0.536062  1
  Ti  Ti37  1  0.075534  0.222434  0.551389  1
  Ti  Ti38  1  0.290228  0.651675  0.574671  1
  Ti  Ti39  1  0.549169  0.508089  0.565925  1
  Ti  Ti40  1  0.763027  0.936110  0.589777  1
  Ti  Ti41  1  0.813127  0.366479  0.558536  1
  Ti  Ti42  1  0.028141  0.795731  0.581960  1
  Ti  Ti43  1  0.501069  0.081570  0.596666  1
  Ti  Ti44  1  0.708188  0.509340  0.618657  1
  Ti  Ti45  1  0.973102  0.368515  0.611845  1
  Ti  Ti46  1  0.196033  0.800911  0.635467  1
  Ti  Ti47  1  0.236840  0.224955  0.604797  1
  Ti  Ti48  1  0.453967  0.652831  0.628772  1
  Ti  Ti49  1  0.925493  0.936154  0.643546  1
  Ti  Ti50  1  0.133120  0.369493  0.664646  1
  Ti  Ti51  1  0.396501  0.226724  0.658192  1
  Ti  Ti52  1  0.621690  0.651061  0.683071  1
  Ti  Ti53  1  0.660898  0.080980  0.650166  1
  Ti  Ti54  1  0.873153  0.510339  0.669887  1
  Ti  Ti55  1  0.362405  0.799277  0.689634  1
  Ti  Ti56  1  0.567480  0.245027  0.710198  1
  Ti  Ti57  1  0.825516  0.085965  0.703414  1
  Ti  Ti58  1  0.015834  0.520380  0.722158  1
  Ti  Ti59  1  0.087340  0.930061  0.697288  1
  Ti  Ti60  1  0.280229  0.370003  0.716706  1
