# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86897927
_cell_length_b   7.93128554
_cell_length_c   46.42515694
_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   Ti27
_cell_volume   1056.3902305
_cell_formula_units_Z   27
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  0.455944  0.035109  0.296249  1
  Ti  Ti2  1  0.955944  0.717611  0.292827  1
  Ti  Ti3  1  0.955944  0.906708  0.345614  1
  Ti  Ti4  1  0.455944  0.585888  0.341013  1
  Ti  Ti5  1  0.955944  0.269794  0.333468  1
  Ti  Ti6  1  0.955944  0.447886  0.390219  1
  Ti  Ti7  1  0.455944  0.131030  0.384443  1
  Ti  Ti8  1  0.455944  0.768999  0.395322  1
  Ti  Ti9  1  0.955944  0.991329  0.435016  1
  Ti  Ti10  1  0.955945  0.630183  0.445144  1
  Ti  Ti11  1  0.455944  0.309915  0.440156  1
  Ti  Ti12  1  0.455950  0.491072  0.495039  1
  Ti  Ti13  1  0.955943  0.170634  0.490325  1
  Ti  Ti14  1  0.455943  0.851327  0.485322  1
  Ti  Ti15  1  0.455941  0.030279  0.540584  1
  Ti  Ti16  1  0.955942  0.710966  0.535546  1
  Ti  Ti17  1  0.955966  0.352888  0.544970  1
  Ti  Ti18  1  0.455940  0.572516  0.586249  1
  Ti  Ti19  1  0.456014  0.214064  0.594315  1
  Ti  Ti20  1  0.955933  0.884451  0.590999  1
  Ti  Ti21  1  0.956112  0.066987  0.641678  1
  Ti  Ti22  1  0.455965  0.751582  0.646846  1
  Ti  Ti23  1  0.955947  0.437448  0.635606  1
  Ti  Ti24  1  0.956128  0.577671  0.695308  1
  Ti  Ti25  1  0.455966  0.267589  0.681111  1
  Ti  Ti26  1  0.955132  0.945631  0.698155  1
  Ti  Ti27  1  0.956032  0.263416  0.731900  1
