# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94622202
_cell_length_b   5.56213862
_cell_length_c   47.50410366
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.57532054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti18
_cell_volume   750.424233246
_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  0.128620  0.749525  0.312304  1
  Ti  Ti2  1  0.862128  0.283555  0.305075  1
  Ti  Ti3  1  0.743108  0.520635  0.359410  1
  Ti  Ti4  1  0.474925  0.057543  0.351986  1
  Ti  Ti5  1  0.357456  0.291896  0.407284  1
  Ti  Ti6  1  0.089314  0.828621  0.399496  1
  Ti  Ti7  1  0.971770  0.063222  0.454991  1
  Ti  Ti8  1  0.703343  0.600485  0.447230  1
  Ti  Ti9  1  0.585973  0.834761  0.502717  1
  Ti  Ti10  1  0.317577  0.371959  0.494937  1
  Ti  Ti11  1  0.200208  0.606235  0.550424  1
  Ti  Ti12  1  0.931781  0.143497  0.542662  1
  Ti  Ti13  1  0.814237  0.378098  0.598158  1
  Ti  Ti14  1  0.546094  0.914824  0.590370  1
  Ti  Ti15  1  0.428626  0.149177  0.645668  1
  Ti  Ti16  1  0.160443  0.686084  0.638244  1
  Ti  Ti17  1  0.041422  0.923165  0.692579  1
  Ti  Ti18  1  0.774931  0.457195  0.685349  1
