# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66693244
_cell_length_b   7.76235252
_cell_length_c   46.34566973
_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   Ti42
_cell_volume   1678.93560334
_cell_formula_units_Z   42
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  0.752062  0.112390  0.297051  1
  Ti  Ti2  1  0.752062  0.758544  0.315668  1
  Ti  Ti3  1  0.752062  0.402041  0.336804  1
  Ti  Ti4  1  0.252062  0.180730  0.329819  1
  Ti  Ti5  1  0.252062  0.902858  0.290781  1
  Ti  Ti6  1  0.252062  0.538237  0.309730  1
  Ti  Ti7  1  0.752062  0.041731  0.356951  1
  Ti  Ti8  1  0.752062  0.684330  0.377939  1
  Ti  Ti9  1  0.752062  0.326130  0.399061  1
  Ti  Ti10  1  0.252062  0.109160  0.391945  1
  Ti  Ti11  1  0.252062  0.823171  0.349759  1
  Ti  Ti12  1  0.252062  0.466954  0.370857  1
  Ti  Ti13  1  0.752062  0.968698  0.419995  1
  Ti  Ti14  1  0.752062  0.611441  0.440908  1
  Ti  Ti15  1  0.752062  0.254086  0.461900  1
  Ti  Ti16  1  0.252062  0.037767  0.454752  1
  Ti  Ti17  1  0.252062  0.752129  0.412804  1
  Ti  Ti18  1  0.252062  0.395000  0.433796  1
  Ti  Ti19  1  0.752062  0.896820  0.482839  1
  Ti  Ti20  1  0.752062  0.539610  0.503775  1
  Ti  Ti21  1  0.752062  0.182386  0.524750  1
  Ti  Ti22  1  0.252062  0.966154  0.517583  1
  Ti  Ti23  1  0.252062  0.680588  0.475672  1
  Ti  Ti24  1  0.252062  0.323364  0.496647  1
  Ti  Ti25  1  0.752062  0.825207  0.545670  1
  Ti  Ti26  1  0.752062  0.467974  0.566625  1
  Ti  Ti27  1  0.752062  0.110844  0.587618  1
  Ti  Ti28  1  0.252062  0.894276  0.580427  1
  Ti  Ti29  1  0.252062  0.608888  0.538521  1
  Ti  Ti30  1  0.252062  0.251533  0.559513  1
  Ti  Ti31  1  0.752062  0.753813  0.608477  1
  Ti  Ti32  1  0.752062  0.396020  0.629564  1
  Ti  Ti33  1  0.752062  0.039802  0.650662  1
  Ti  Ti34  1  0.252062  0.821243  0.643470  1
  Ti  Ti35  1  0.252062  0.536843  0.601361  1
  Ti  Ti36  1  0.252062  0.178644  0.622483  1
  Ti  Ti37  1  0.752062  0.682244  0.670603  1
  Ti  Ti38  1  0.752062  0.324736  0.690691  1
  Ti  Ti39  1  0.752062  0.960115  0.709640  1
  Ti  Ti40  1  0.252062  0.750584  0.703370  1
  Ti  Ti41  1  0.252062  0.460933  0.663617  1
  Ti  Ti42  1  0.252062  0.104429  0.684753  1
