# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77946976
_cell_length_b   5.51879625
_cell_length_c   49.16133061
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.77965649
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2099.92910048
_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  0.531605  0.058148  0.307373  1
  Ti  Ti2  1  0.888617  0.964384  0.325085  1
  Ti  Ti3  1  0.181328  0.136504  0.293430  1
  Ti  Ti4  1  0.429232  0.545048  0.309788  1
  Ti  Ti5  1  0.739030  0.727309  0.282290  1
  Ti  Ti6  1  0.080673  0.626574  0.295491  1
  Ti  Ti7  1  0.590884  0.777300  0.356577  1
  Ti  Ti8  1  0.941112  0.683610  0.374136  1
  Ti  Ti9  1  0.238542  0.869375  0.341328  1
  Ti  Ti10  1  0.485938  0.263382  0.359614  1
  Ti  Ti11  1  0.785388  0.441903  0.326752  1
  Ti  Ti12  1  0.137848  0.355709  0.344080  1
  Ti  Ti13  1  0.643462  0.501298  0.407604  1
  Ti  Ti14  1  0.994683  0.408734  0.424585  1
  Ti  Ti15  1  0.294133  0.592532  0.391204  1
  Ti  Ti16  1  0.536808  0.985936  0.410207  1
  Ti  Ti17  1  0.835420  0.169962  0.377214  1
  Ti  Ti18  1  0.186113  0.077232  0.393952  1
  Ti  Ti19  1  0.695689  0.223838  0.457946  1
  Ti  Ti20  1  0.046392  0.131473  0.474822  1
  Ti  Ti21  1  0.345494  0.315569  0.441381  1
  Ti  Ti22  1  0.588483  0.709068  0.460706  1
  Ti  Ti23  1  0.887338  0.892833  0.427301  1
  Ti  Ti24  1  0.238278  0.800853  0.444125  1
  Ti  Ti25  1  0.747508  0.947171  0.508307  1
  Ti  Ti26  1  0.098223  0.854795  0.525098  1
  Ti  Ti27  1  0.397116  0.039075  0.491672  1
  Ti  Ti28  1  0.640156  0.432092  0.511010  1
  Ti  Ti29  1  0.939050  0.616373  0.477584  1
  Ti  Ti30  1  0.289765  0.523997  0.494375  1
  Ti  Ti31  1  0.798994  0.670315  0.558557  1
  Ti  Ti32  1  0.149935  0.578335  0.575381  1
  Ti  Ti33  1  0.448790  0.762100  0.541976  1
  Ti  Ti34  1  0.691778  0.155599  0.561301  1
  Ti  Ti35  1  0.990880  0.339695  0.527860  1
  Ti  Ti36  1  0.341583  0.247330  0.544736  1
  Ti  Ti37  1  0.851160  0.393935  0.608730  1
  Ti  Ti38  1  0.201852  0.301206  0.625468  1
  Ti  Ti39  1  0.500464  0.485231  0.592476  1
  Ti  Ti40  1  0.743140  0.878636  0.611478  1
  Ti  Ti41  1  0.042590  0.062434  0.578097  1
  Ti  Ti42  1  0.393810  0.969870  0.595078  1
  Ti  Ti43  1  0.899425  0.115458  0.658602  1
  Ti  Ti44  1  0.251884  0.029265  0.675930  1
  Ti  Ti45  1  0.551335  0.207786  0.643068  1
  Ti  Ti46  1  0.798731  0.601793  0.661354  1
  Ti  Ti47  1  0.096161  0.787558  0.628546  1
  Ti  Ti48  1  0.446389  0.693868  0.646105  1
  Ti  Ti49  1  0.956600  0.844594  0.707191  1
  Ti  Ti50  1  0.298243  0.743859  0.720392  1
  Ti  Ti51  1  0.608040  0.926120  0.692894  1
  Ti  Ti52  1  0.855945  0.334664  0.709252  1
  Ti  Ti53  1  0.148655  0.506784  0.677597  1
  Ti  Ti54  1  0.505668  0.413020  0.695309  1
