# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.62223546
_cell_length_b   5.12782167
_cell_length_c   48.37655155
_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   Ti54
_cell_volume   2138.88630291
_cell_formula_units_Z   54
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  -0.027020  0.388079  0.302571  1
  Ti  Ti2  1  0.472980  0.888079  0.302571  1
  Ti  Ti3  1  0.139646  0.888079  0.302571  1
  Ti  Ti4  1  0.639646  0.388079  0.302571  1
  Ti  Ti5  1  0.306313  0.388079  0.302571  1
  Ti  Ti6  1  0.806313  0.888079  0.302571  1
  Ti  Ti7  1  -0.027020  0.712885  0.351887  1
  Ti  Ti8  1  0.472980  0.212885  0.351887  1
  Ti  Ti9  1  0.139646  0.212885  0.351887  1
  Ti  Ti10  1  0.639646  0.712885  0.351887  1
  Ti  Ti11  1  0.306313  0.712885  0.351887  1
  Ti  Ti12  1  0.806313  0.212885  0.351887  1
  Ti  Ti13  1  -0.027020  0.037638  0.401618  1
  Ti  Ti14  1  0.472980  0.537638  0.401618  1
  Ti  Ti15  1  0.139646  0.537638  0.401618  1
  Ti  Ti16  1  0.639646  0.037638  0.401618  1
  Ti  Ti17  1  0.306313  0.037638  0.401618  1
  Ti  Ti18  1  0.806313  0.537638  0.401618  1
  Ti  Ti19  1  -0.027020  0.362393  0.451428  1
  Ti  Ti20  1  0.472980  0.862393  0.451428  1
  Ti  Ti21  1  0.139646  0.862393  0.451428  1
  Ti  Ti22  1  0.639646  0.362393  0.451428  1
  Ti  Ti23  1  0.306313  0.362393  0.451428  1
  Ti  Ti24  1  0.806313  0.862393  0.451428  1
  Ti  Ti25  1  -0.027020  0.687148  0.501238  1
  Ti  Ti26  1  0.472980  0.187148  0.501238  1
  Ti  Ti27  1  0.139646  0.187148  0.501238  1
  Ti  Ti28  1  0.639646  0.687148  0.501238  1
  Ti  Ti29  1  0.306313  0.687148  0.501238  1
  Ti  Ti30  1  0.806313  0.187148  0.501238  1
  Ti  Ti31  1  -0.027020  1.011902  0.551047  1
  Ti  Ti32  1  0.472980  0.511902  0.551047  1
  Ti  Ti33  1  0.139646  0.511902  0.551047  1
  Ti  Ti34  1  0.639646  1.011902  0.551047  1
  Ti  Ti35  1  0.306313  1.011902  0.551047  1
  Ti  Ti36  1  0.806313  0.511902  0.551047  1
  Ti  Ti37  1  -0.027020  0.336657  0.600857  1
  Ti  Ti38  1  0.472980  0.836657  0.600857  1
  Ti  Ti39  1  0.139646  0.836657  0.600857  1
  Ti  Ti40  1  0.639646  0.336657  0.600857  1
  Ti  Ti41  1  0.306313  0.336657  0.600857  1
  Ti  Ti42  1  0.806313  0.836657  0.600857  1
  Ti  Ti43  1  -0.027020  0.661410  0.650588  1
  Ti  Ti44  1  0.472980  0.161410  0.650588  1
  Ti  Ti45  1  0.139646  0.161410  0.650588  1
  Ti  Ti46  1  0.639646  0.661410  0.650588  1
  Ti  Ti47  1  0.306313  0.661410  0.650588  1
  Ti  Ti48  1  0.806313  0.161410  0.650588  1
  Ti  Ti49  1  -0.027020  0.986217  0.699904  1
  Ti  Ti50  1  0.472980  0.486217  0.699904  1
  Ti  Ti51  1  0.139646  0.486217  0.699904  1
  Ti  Ti52  1  0.639646  0.986217  0.699904  1
  Ti  Ti53  1  0.306313  0.986217  0.699904  1
  Ti  Ti54  1  0.806313  0.486217  0.699904  1
