# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74451957
_cell_length_b   5.05008037
_cell_length_c   47.06013068
_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   Ti28
_cell_volume   1127.57038718
_cell_formula_units_Z   28
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  0.752914  0.872638  0.285356  1
  Ti  Ti2  1  0.252914  0.687427  0.310833  1
  Ti  Ti3  1  0.752914  0.359107  0.311680  1
  Ti  Ti4  1  0.252914  0.182381  0.340987  1
  Ti  Ti5  1  0.752914  0.847961  0.344314  1
  Ti  Ti6  1  0.252914  0.678405  0.373629  1
  Ti  Ti7  1  0.752914  0.342797  0.374114  1
  Ti  Ti8  1  0.252914  0.176819  0.404807  1
  Ti  Ti9  1  0.752914  0.839382  0.406000  1
  Ti  Ti10  1  0.252914  0.675281  0.436747  1
  Ti  Ti11  1  0.752914  0.337223  0.436990  1
  Ti  Ti12  1  0.252914  0.174389  0.468123  1
  Ti  Ti13  1  0.752914  0.835954  0.468637  1
  Ti  Ti14  1  0.252914  0.673511  0.499792  1
  Ti  Ti15  1  0.752914  0.335019  0.499962  1
  Ti  Ti16  1  0.252914  0.172575  0.531117  1
  Ti  Ti17  1  0.752914  0.834140  0.531631  1
  Ti  Ti18  1  0.252914  0.671306  0.562764  1
  Ti  Ti19  1  0.752914  0.333248  0.563006  1
  Ti  Ti20  1  0.252914  0.169148  0.593754  1
  Ti  Ti21  1  0.752914  0.831711  0.594947  1
  Ti  Ti22  1  0.252914  0.665732  0.625639  1
  Ti  Ti23  1  0.752914  0.330124  0.626125  1
  Ti  Ti24  1  0.252914  0.160568  0.655440  1
  Ti  Ti25  1  0.752914  0.826148  0.658767  1
  Ti  Ti26  1  0.252914  0.649422  0.688074  1
  Ti  Ti27  1  0.752914  0.321102  0.688920  1
  Ti  Ti28  1  0.252914  0.135891  0.714398  1
