# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23853976
_cell_length_b   4.64622858
_cell_length_c   46.57698075
_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   700.843641974
_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  1.007034  0.999805  0.299328  1
  Ti  Ti2  1  0.507034  0.499805  0.299328  1
  Ti  Ti3  1  1.007034  0.499805  0.347923  1
  Ti  Ti4  1  0.507034  0.999805  0.347923  1
  Ti  Ti5  1  1.007034  0.999805  0.398144  1
  Ti  Ti6  1  0.507034  0.499805  0.398144  1
  Ti  Ti7  1  0.007034  0.499805  0.448360  1
  Ti  Ti8  1  0.507034  0.999805  0.448360  1
  Ti  Ti9  1  0.007034  0.999805  0.498574  1
  Ti  Ti10  1  0.507034  0.499805  0.498574  1
  Ti  Ti11  1  0.007034  0.499805  0.548788  1
  Ti  Ti12  1  0.507034  0.999805  0.548788  1
  Ti  Ti13  1  0.007034  0.999805  0.599004  1
  Ti  Ti14  1  0.507034  0.499805  0.599004  1
  Ti  Ti15  1  0.007034  0.499805  0.649225  1
  Ti  Ti16  1  0.507034  0.999805  0.649225  1
  Ti  Ti17  1  0.007034  0.999805  0.697820  1
  Ti  Ti18  1  0.507034  0.499805  0.697820  1
