# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91845332
_cell_length_b   5.51706537
_cell_length_c   47.26615114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.45225123
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti18
_cell_volume   733.536698932
_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  0.880299  0.750693  0.311828  1
  Ti  Ti2  1  0.144587  0.281732  0.305406  1
  Ti  Ti3  1  0.264133  0.518073  0.358276  1
  Ti  Ti4  1  0.530890  0.053231  0.351613  1
  Ti  Ti5  1  0.649254  0.287559  0.406500  1
  Ti  Ti6  1  0.915671  0.822116  0.399080  1
  Ti  Ti7  1  0.034192  0.056973  0.454318  1
  Ti  Ti8  1  0.301405  0.592913  0.446913  1
  Ti  Ti9  1  0.419475  0.827033  0.502165  1
  Ti  Ti10  1  0.686603  0.362790  0.494685  1
  Ti  Ti11  1  0.804672  0.596911  0.549936  1
  Ti  Ti12  1  0.071886  0.132851  0.542531  1
  Ti  Ti13  1  0.190407  0.367707  0.597770  1
  Ti  Ti14  1  0.456824  0.902265  0.590350  1
  Ti  Ti15  1  0.575188  0.136592  0.645236  1
  Ti  Ti16  1  0.841945  0.671750  0.638574  1
  Ti  Ti17  1  0.961491  0.908092  0.691444  1
  Ti  Ti18  1  0.225779  0.439131  0.685022  1
