# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.15531380
_cell_length_b   4.73537793
_cell_length_c   47.42411938
_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   Ti18
_cell_volume   708.592380107
_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  0.021649  0.991566  0.291016  1
  Ti  Ti2  1  0.521649  0.491566  0.291016  1
  Ti  Ti3  1  1.021649  0.491566  0.340701  1
  Ti  Ti4  1  0.521649  0.991566  0.340701  1
  Ti  Ti5  1  0.021649  0.991566  0.390695  1
  Ti  Ti6  1  0.521649  0.491566  0.390695  1
  Ti  Ti7  1  0.021649  0.491566  0.440767  1
  Ti  Ti8  1  0.521649  0.991566  0.440767  1
  Ti  Ti9  1  1.021649  0.991566  0.490837  1
  Ti  Ti10  1  0.521649  0.491566  0.490837  1
  Ti  Ti11  1  0.021649  0.491566  0.540907  1
  Ti  Ti12  1  0.521649  0.991566  0.540907  1
  Ti  Ti13  1  0.021649  0.991566  0.590978  1
  Ti  Ti14  1  0.521649  0.491566  0.590978  1
  Ti  Ti15  1  0.021649  0.491566  0.640972  1
  Ti  Ti16  1  0.521649  0.991566  0.640972  1
  Ti  Ti17  1  0.021649  0.991566  0.690658  1
  Ti  Ti18  1  0.521649  0.491566  0.690658  1
