# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.08533670
_cell_length_b   9.28597629
_cell_length_c   48.36628243
_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   Ti48
_cell_volume   1834.83971992
_cell_formula_units_Z   48
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  0.507612  0.679490  0.314772  1
  Ti  Ti2  1  0.507612  0.290604  0.280510  1
  Ti  Ti3  1  1.007612  0.485023  0.296487  1
  Ti  Ti4  1  1.007612  0.877755  0.334757  1
  Ti  Ti5  1  1.007612  0.790604  0.280510  1
  Ti  Ti6  1  1.007612  0.179490  0.314772  1
  Ti  Ti7  1  0.507612  0.377755  0.334757  1
  Ti  Ti8  1  0.507612  0.985023  0.296487  1
  Ti  Ti9  1  0.507612  0.477088  0.392264  1
  Ti  Ti10  1  0.507612  0.077517  0.353170  1
  Ti  Ti11  1  1.007612  0.276864  0.372794  1
  Ti  Ti12  1  1.007612  0.676417  0.411453  1
  Ti  Ti13  1  1.007612  0.577517  0.353170  1
  Ti  Ti14  1  1.007612  0.977088  0.392264  1
  Ti  Ti15  1  0.507612  0.176417  0.411453  1
  Ti  Ti16  1  0.507612  0.776864  0.372794  1
  Ti  Ti17  1  0.507612  0.275045  0.469525  1
  Ti  Ti18  1  0.507612  0.875891  0.430854  1
  Ti  Ti19  1  1.007612  0.075553  0.450206  1
  Ti  Ti20  1  1.007612  0.474573  0.488875  1
  Ti  Ti21  1  1.007612  0.375891  0.430854  1
  Ti  Ti22  1  1.007612  0.775045  0.469525  1
  Ti  Ti23  1  0.507612  0.974573  0.488875  1
  Ti  Ti24  1  0.507612  0.575553  0.450206  1
  Ti  Ti25  1  0.507612  0.073175  0.546886  1
  Ti  Ti26  1  0.507612  0.674155  0.508217  1
  Ti  Ti27  1  1.007612  0.873683  0.527568  1
  Ti  Ti28  1  1.007612  0.272837  0.566238  1
  Ti  Ti29  1  1.007612  0.174155  0.508217  1
  Ti  Ti30  1  1.007612  0.573175  0.546886  1
  Ti  Ti31  1  0.507612  0.772837  0.566238  1
  Ti  Ti32  1  0.507612  0.373683  0.527568  1
  Ti  Ti33  1  0.507612  0.871864  0.624298  1
  Ti  Ti34  1  0.507612  0.472311  0.585639  1
  Ti  Ti35  1  1.007612  0.671640  0.604828  1
  Ti  Ti36  1  1.007612  0.071211  0.643922  1
  Ti  Ti37  1  1.007612  0.972311  0.585639  1
  Ti  Ti38  1  1.007612  0.371864  0.624298  1
  Ti  Ti39  1  0.507612  0.571211  0.643922  1
  Ti  Ti40  1  0.507612  0.171640  0.604828  1
  Ti  Ti41  1  0.507612  0.663705  0.700605  1
  Ti  Ti42  1  0.507612  0.270972  0.662336  1
  Ti  Ti43  1  1.007612  0.469238  0.682321  1
  Ti  Ti44  1  1.007612  0.858124  0.716582  1
  Ti  Ti45  1  1.007612  0.770972  0.662336  1
  Ti  Ti46  1  1.007612  0.163705  0.700605  1
  Ti  Ti47  1  0.507612  0.358124  0.716582  1
  Ti  Ti48  1  0.507612  0.969238  0.682321  1
