# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05065565
_cell_length_b   5.56259567
_cell_length_c   45.28972152
_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   Ti32
_cell_volume   1272.40364295
_cell_formula_units_Z   32
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  0.332767  0.172049  0.315763  1
  Ti  Ti2  1  0.833492  0.307189  0.290754  1
  Ti  Ti3  1  0.175647  0.672049  0.315763  1
  Ti  Ti4  1  0.674923  0.807189  0.290754  1
  Ti  Ti5  1  0.335356  0.896740  0.371737  1
  Ti  Ti6  1  0.835214  0.032796  0.344822  1
  Ti  Ti7  1  0.173059  0.396740  0.371737  1
  Ti  Ti8  1  0.673201  0.532796  0.344822  1
  Ti  Ti9  1  0.335654  0.621410  0.427670  1
  Ti  Ti10  1  0.835998  0.758217  0.400092  1
  Ti  Ti11  1  0.172761  0.121410  0.427670  1
  Ti  Ti12  1  0.672416  0.258217  0.400092  1
  Ti  Ti13  1  0.335643  0.346054  0.483485  1
  Ti  Ti14  1  0.835728  0.483316  0.455742  1
  Ti  Ti15  1  0.172771  0.846054  0.483485  1
  Ti  Ti16  1  0.672687  0.983316  0.455742  1
  Ti  Ti17  1  0.335728  0.070862  0.539227  1
  Ti  Ti18  1  0.835643  0.208124  0.511484  1
  Ti  Ti19  1  0.172687  0.570862  0.539227  1
  Ti  Ti20  1  0.672771  0.708124  0.511484  1
  Ti  Ti21  1  0.335998  0.795961  0.594877  1
  Ti  Ti22  1  0.835654  0.932768  0.567299  1
  Ti  Ti23  1  0.172416  0.295961  0.594877  1
  Ti  Ti24  1  0.672761  0.432768  0.567299  1
  Ti  Ti25  1  0.335214  0.521382  0.650147  1
  Ti  Ti26  1  0.835356  0.657438  0.623232  1
  Ti  Ti27  1  0.173201  0.021382  0.650147  1
  Ti  Ti28  1  0.673059  0.157438  0.623232  1
  Ti  Ti29  1  0.333492  0.246989  0.704215  1
  Ti  Ti30  1  0.832767  0.382129  0.679206  1
  Ti  Ti31  1  0.174923  0.746989  0.704215  1
  Ti  Ti32  1  0.675647  0.882129  0.679206  1
