# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64693333
_cell_length_b   2.87460244
_cell_length_c   48.32224617
_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   Ti15
_cell_volume   645.492713958
_cell_formula_units_Z   15
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  0.167408  0.001969  0.309612  1
  Ti  Ti2  1  0.167408  0.501969  0.361747  1
  Ti  Ti3  1  0.667408  0.501969  0.331099  1
  Ti  Ti4  1  0.667408  0.001969  0.388284  1
  Ti  Ti5  1  0.667408  0.501969  0.444524  1
  Ti  Ti6  1  0.167408  0.501969  0.416957  1
  Ti  Ti7  1  0.167408  0.001969  0.472481  1
  Ti  Ti8  1  0.167408  0.501969  0.528166  1
  Ti  Ti9  1  0.667408  0.501969  0.500225  1
  Ti  Ti10  1  0.667408  0.001969  0.555955  1
  Ti  Ti11  1  0.667408  0.501969  0.611628  1
  Ti  Ti12  1  0.167408  0.501969  0.583830  1
  Ti  Ti13  1  0.167408  0.001969  0.639695  1
  Ti  Ti14  1  0.167408  0.501969  0.695387  1
  Ti  Ti15  1  0.667408  0.501969  0.666883  1
