# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09533532
_cell_length_b   5.87529260
_cell_length_c   46.91358238
_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   Ti28
_cell_volume   1128.80146506
_cell_formula_units_Z   28
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  0.506373  0.374166  0.298807  1
  Ti  Ti2  1  1.006373  0.624166  0.327636  1
  Ti  Ti3  1  1.006373  0.124166  0.327636  1
  Ti  Ti4  1  0.506373  0.874166  0.298807  1
  Ti  Ti5  1  0.506373  0.874166  0.358529  1
  Ti  Ti6  1  0.006373  0.124166  0.390037  1
  Ti  Ti7  1  0.006373  0.624166  0.390037  1
  Ti  Ti8  1  0.506373  0.374166  0.358529  1
  Ti  Ti9  1  0.506373  0.374166  0.421496  1
  Ti  Ti10  1  0.006373  0.624166  0.452942  1
  Ti  Ti11  1  0.006373  0.124166  0.452942  1
  Ti  Ti12  1  0.506373  0.874166  0.421496  1
  Ti  Ti13  1  0.506373  0.874166  0.484388  1
  Ti  Ti14  1  1.006373  0.124166  0.515834  1
  Ti  Ti15  1  1.006373  0.624166  0.515834  1
  Ti  Ti16  1  0.506373  0.374166  0.484388  1
  Ti  Ti17  1  0.506373  0.374166  0.547279  1
  Ti  Ti18  1  1.006373  0.624166  0.578725  1
  Ti  Ti19  1  1.006373  0.124166  0.578725  1
  Ti  Ti20  1  0.506373  0.874166  0.547279  1
  Ti  Ti21  1  0.506373  0.874166  0.610185  1
  Ti  Ti22  1  0.006373  0.124166  0.641693  1
  Ti  Ti23  1  1.006373  0.624166  0.641693  1
  Ti  Ti24  1  0.506373  0.374166  0.610185  1
  Ti  Ti25  1  0.506373  0.374166  0.672585  1
  Ti  Ti26  1  0.006373  0.624166  0.701414  1
  Ti  Ti27  1  1.006373  0.124166  0.701414  1
  Ti  Ti28  1  0.506373  0.874166  0.672585  1
