# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91585613
_cell_length_b   15.10882701
_cell_length_c   48.09051084
_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   2118.63543076
_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  0.254232  0.398152  0.313879  1
  Ti  Ti2  1  0.754232  0.748940  0.297916  1
  Ti  Ti3  1  0.254232  0.097903  0.283035  1
  Ti  Ti4  1  0.254232  0.581814  0.299016  1
  Ti  Ti5  1  0.754232  0.932340  0.282779  1
  Ti  Ti6  1  0.754232  0.230272  0.314576  1
  Ti  Ti7  1  0.754232  0.341391  0.364131  1
  Ti  Ti8  1  0.254232  0.692841  0.347964  1
  Ti  Ti9  1  0.754232  0.044235  0.331995  1
  Ti  Ti10  1  0.754232  0.525811  0.348496  1
  Ti  Ti11  1  0.254232  0.877397  0.332173  1
  Ti  Ti12  1  0.254232  0.174296  0.364828  1
  Ti  Ti13  1  0.254232  0.285166  0.414599  1
  Ti  Ti14  1  0.754232  0.636708  0.398208  1
  Ti  Ti15  1  0.254232  0.988729  0.381818  1
  Ti  Ti16  1  0.254232  0.469548  0.398487  1
  Ti  Ti17  1  0.754232  0.821407  0.382065  1
  Ti  Ti18  1  0.754232  0.118079  0.415231  1
  Ti  Ti19  1  0.754232  0.229031  0.465008  1
  Ti  Ti20  1  0.254232  0.580635  0.448455  1
  Ti  Ti21  1  0.754232  0.932704  0.431882  1
  Ti  Ti22  1  0.754232  0.413637  0.448777  1
  Ti  Ti23  1  0.254232  0.765469  0.432252  1
  Ti  Ti24  1  0.254232  0.061842  0.465529  1
  Ti  Ti25  1  0.254232  0.172927  0.515323  1
  Ti  Ti26  1  0.754232  0.524648  0.498739  1
  Ti  Ti27  1  0.254232  0.876615  0.482055  1
  Ti  Ti28  1  0.254232  0.357663  0.499077  1
  Ti  Ti29  1  0.754232  0.709384  0.482493  1
  Ti  Ti30  1  0.754232  0.005696  0.515760  1
  Ti  Ti31  1  0.754232  0.116842  0.565563  1
  Ti  Ti32  1  0.254232  0.468674  0.549038  1
  Ti  Ti33  1  0.754232  0.820469  0.532286  1
  Ti  Ti34  1  0.754232  0.301676  0.549360  1
  Ti  Ti35  1  0.254232  0.653280  0.532807  1
  Ti  Ti36  1  0.254232  0.949607  0.565933  1
  Ti  Ti37  1  0.254232  0.060904  0.615751  1
  Ti  Ti38  1  0.754232  0.412763  0.599328  1
  Ti  Ti39  1  0.254232  0.764232  0.582584  1
  Ti  Ti40  1  0.254232  0.245603  0.599607  1
  Ti  Ti41  1  0.754232  0.597145  0.583216  1
  Ti  Ti42  1  0.754232  0.893581  0.615997  1
  Ti  Ti43  1  0.754232  0.004913  0.665643  1
  Ti  Ti44  1  0.254232  0.356500  0.649320  1
  Ti  Ti45  1  0.754232  0.708015  0.632987  1
  Ti  Ti46  1  0.754232  0.189470  0.649852  1
  Ti  Ti47  1  0.254232  0.540920  0.633685  1
  Ti  Ti48  1  0.254232  0.838076  0.665821  1
  Ti  Ti49  1  0.254232  0.949971  0.715036  1
  Ti  Ti50  1  0.754232  0.300497  0.698799  1
  Ti  Ti51  1  0.254232  0.652039  0.683239  1
  Ti  Ti52  1  0.254232  0.133371  0.699900  1
  Ti  Ti53  1  0.754232  0.484159  0.683936  1
  Ti  Ti54  1  0.754232  0.784408  0.714780  1
