# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71661653
_cell_length_b   5.56502004
_cell_length_c   49.63539894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.68955230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti54
_cell_volume   2120.99869057
_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  0.544679  0.114372  0.303081  1
  Ti  Ti2  1  0.896957  0.021330  0.321562  1
  Ti  Ti3  1  0.188164  0.190150  0.289097  1
  Ti  Ti4  1  0.435627  0.595984  0.306285  1
  Ti  Ti5  1  0.740189  0.769333  0.278183  1
  Ti  Ti6  1  0.085562  0.676154  0.291233  1
  Ti  Ti7  1  0.598430  0.840404  0.353481  1
  Ti  Ti8  1  0.949516  0.750624  0.371019  1
  Ti  Ti9  1  0.248392  0.929274  0.337791  1
  Ti  Ti10  1  0.492865  0.325940  0.356504  1
  Ti  Ti11  1  0.791663  0.498181  0.324055  1
  Ti  Ti12  1  0.143322  0.415774  0.340794  1
  Ti  Ti13  1  0.651222  0.572955  0.404189  1
  Ti  Ti14  1  1.002616  0.483136  0.421178  1
  Ti  Ti15  1  0.301656  0.661667  0.387744  1
  Ti  Ti16  1  0.545333  0.058222  0.406826  1
  Ti  Ti17  1  0.843344  0.235637  0.373999  1
  Ti  Ti18  1  0.194815  0.147098  0.390442  1
  Ti  Ti19  1  0.703658  0.304258  0.454497  1
  Ti  Ti20  1  0.054455  0.214768  0.471337  1
  Ti  Ti21  1  0.353357  0.393297  0.437897  1
  Ti  Ti22  1  0.597537  0.790311  0.457147  1
  Ti  Ti23  1  0.896215  0.968391  0.423878  1
  Ti  Ti24  1  0.247172  0.879462  0.440538  1
  Ti  Ti25  1  0.755536  0.035968  0.504747  1
  Ti  Ti26  1  0.106266  0.946621  0.521484  1
  Ti  Ti27  1  0.405137  0.125255  0.488107  1
  Ti  Ti28  1  0.649298  0.521981  0.507350  1
  Ti  Ti29  1  0.948169  0.700615  0.473974  1
  Ti  Ti30  1  0.298900  0.611268  0.490711  1
  Ti  Ti31  1  0.807264  0.767774  0.554920  1
  Ti  Ti32  1  0.158221  0.678845  0.571580  1
  Ti  Ti33  1  0.456898  0.856925  0.538311  1
  Ti  Ti34  1  0.701078  0.253939  0.557561  1
  Ti  Ti35  1  0.999980  0.432468  0.524121  1
  Ti  Ti36  1  0.350777  0.342978  0.540961  1
  Ti  Ti37  1  0.859621  0.500138  0.605016  1
  Ti  Ti38  1  0.211091  0.411599  0.621459  1
  Ti  Ti39  1  0.509103  0.589014  0.588631  1
  Ti  Ti40  1  0.752779  0.985569  0.607714  1
  Ti  Ti41  1  0.051819  0.164100  0.574279  1
  Ti  Ti42  1  0.403214  0.074281  0.591269  1
  Ti  Ti43  1  0.911114  0.231462  0.654663  1
  Ti  Ti44  1  0.262773  0.149055  0.671403  1
  Ti  Ti45  1  0.561570  0.321296  0.638954  1
  Ti  Ti46  1  0.806043  0.717962  0.657667  1
  Ti  Ti47  1  0.104919  0.896612  0.624438  1
  Ti  Ti48  1  0.456006  0.806831  0.641977  1
  Ti  Ti49  1  0.968873  0.971082  0.704224  1
  Ti  Ti50  1  0.314246  0.877903  0.717275  1
  Ti  Ti51  1  0.618808  0.051252  0.689173  1
  Ti  Ti52  1  0.866272  0.457086  0.706361  1
  Ti  Ti53  1  0.157479  0.625906  0.673896  1
  Ti  Ti54  1  0.509756  0.532864  0.692376  1
