# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.90746123
_cell_length_b   5.57150455
_cell_length_c   47.53122756
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.20630053
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti18
_cell_volume   742.997257227
_cell_formula_units_Z   18
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  0.903938  0.797117  0.309306  1
  Ti  Ti2  1  0.168740  0.328790  0.302818  1
  Ti  Ti3  1  0.292715  0.574493  0.356839  1
  Ti  Ti4  1  0.558818  0.108155  0.349758  1
  Ti  Ti5  1  0.681769  0.352262  0.404593  1
  Ti  Ti6  1  0.948175  0.886362  0.397184  1
  Ti  Ti7  1  0.070952  0.130264  0.452319  1
  Ti  Ti8  1  0.337631  0.664870  0.444885  1
  Ti  Ti9  1  0.460236  0.908461  0.500041  1
  Ti  Ti10  1  0.726919  0.443067  0.492586  1
  Ti  Ti11  1  0.849525  0.686658  0.547741  1
  Ti  Ti12  1  0.116203  0.221264  0.540307  1
  Ti  Ti13  1  0.238980  0.465166  0.595442  1
  Ti  Ti14  1  0.505386  0.999267  0.588033  1
  Ti  Ti15  1  0.628337  0.243373  0.642869  1
  Ti  Ti16  1  0.894440  0.777035  0.635787  1
  Ti  Ti17  1  0.018415  0.022738  0.689809  1
  Ti  Ti18  1  0.283217  0.554411  0.683320  1
