# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.04041259
_cell_length_b   5.57064461
_cell_length_c   46.61822617
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.02046859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti30
_cell_volume   1166.08197474
_cell_formula_units_Z   30
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  0.894046  0.455426  0.280480  1
  Ti  Ti2  1  0.777063  0.907866  0.292297  1
  Ti  Ti3  1  0.350022  0.359404  0.306988  1
  Ti  Ti4  1  0.244474  0.825923  0.322483  1
  Ti  Ti5  1  0.812522  0.277940  0.338396  1
  Ti  Ti6  1  0.699408  0.733122  0.352362  1
  Ti  Ti7  1  0.268084  0.191377  0.368095  1
  Ti  Ti8  1  0.158874  0.649420  0.383171  1
  Ti  Ti9  1  0.725891  0.103805  0.398536  1
  Ti  Ti10  1  0.615611  0.561338  0.413493  1
  Ti  Ti11  1  0.183193  0.017984  0.428940  1
  Ti  Ti12  1  0.072476  0.474760  0.444005  1
  Ti  Ti13  1  0.640029  0.930877  0.459325  1
  Ti  Ti14  1  0.529436  0.387975  0.474443  1
  Ti  Ti15  1  0.097009  0.844306  0.489764  1
  Ti  Ti16  1  0.986174  0.301105  0.504870  1
  Ti  Ti17  1  0.553746  0.757436  0.520191  1
  Ti  Ti18  1  0.443153  0.214535  0.535309  1
  Ti  Ti19  1  0.010707  0.670651  0.550629  1
  Ti  Ti20  1  0.899990  0.127428  0.565694  1
  Ti  Ti21  1  0.467571  0.584074  0.581140  1
  Ti  Ti22  1  0.357292  0.041606  0.596098  1
  Ti  Ti23  1  0.924309  0.495991  0.611462  1
  Ti  Ti24  1  0.815099  0.954034  0.626539  1
  Ti  Ti25  1  0.383775  0.412289  0.642271  1
  Ti  Ti26  1  0.270661  0.867472  0.656237  1
  Ti  Ti27  1  0.838709  0.319489  0.672151  1
  Ti  Ti28  1  0.733160  0.786007  0.687645  1
  Ti  Ti29  1  0.306120  0.237546  0.702337  1
  Ti  Ti30  1  0.189137  0.689986  0.714154  1
