# generated using pymatgen
data_Ti
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07268992
_cell_length_b   9.77783087
_cell_length_c   46.69055611
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.07544102
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti
_chemical_formula_sum   Ti56
_cell_volume   2236.14538266
_cell_formula_units_Z   56
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  0.127408  0.915803  0.287961  1
  Ti  Ti2  1  0.367312  0.392735  0.301778  1
  Ti  Ti3  1  0.903070  0.152589  0.294064  1
  Ti  Ti4  1  0.141485  0.638528  0.308222  1
  Ti  Ti5  1  0.614848  0.880588  0.315055  1
  Ti  Ti6  1  0.862079  0.371928  0.331225  1
  Ti  Ti7  1  0.392049  0.128180  0.323553  1
  Ti  Ti8  1  0.634544  0.616187  0.338246  1
  Ti  Ti9  1  0.105482  0.859287  0.346651  1
  Ti  Ti10  1  0.346465  0.347626  0.361947  1
  Ti  Ti11  1  0.882475  0.101963  0.353731  1
  Ti  Ti12  1  0.126958  0.591238  0.369462  1
  Ti  Ti13  1  0.590625  0.834561  0.377558  1
  Ti  Ti14  1  0.833857  0.322221  0.393428  1
  Ti  Ti15  1  0.372844  0.078889  0.385638  1
  Ti  Ti16  1  0.616744  0.566581  0.401104  1
  Ti  Ti17  1  0.077946  0.810209  0.409222  1
  Ti  Ti18  1  0.321663  0.298313  0.424894  1
  Ti  Ti19  1  0.861326  0.054123  0.416939  1
  Ti  Ti20  1  0.105231  0.542095  0.432592  1
  Ti  Ti21  1  0.565598  0.785983  0.440560  1
  Ti  Ti22  1  0.809468  0.273847  0.456279  1
  Ti  Ti23  1  0.349642  0.029995  0.448428  1
  Ti  Ti24  1  0.593611  0.517916  0.464070  1
  Ti  Ti25  1  0.053502  0.761665  0.472013  1
  Ti  Ti26  1  0.297433  0.249637  0.487706  1
  Ti  Ti27  1  0.837711  0.005657  0.479821  1
  Ti  Ti28  1  0.081635  0.493553  0.495508  1
  Ti  Ti29  1  0.541479  0.737447  0.503442  1
  Ti  Ti30  1  0.785404  0.225343  0.519130  1
  Ti  Ti31  1  0.325681  0.981363  0.511244  1
  Ti  Ti32  1  0.569612  0.469334  0.526938  1
  Ti  Ti33  1  0.029503  0.713083  0.534881  1
  Ti  Ti34  1  0.273472  0.201004  0.550522  1
  Ti  Ti35  1  0.813646  0.957153  0.542672  1
  Ti  Ti36  1  0.057516  0.445017  0.558390  1
  Ti  Ti37  1  0.517883  0.688905  0.566358  1
  Ti  Ti38  1  0.761788  0.176876  0.582012  1
  Ti  Ti39  1  0.301452  0.932687  0.574056  1
  Ti  Ti40  1  0.545169  0.420790  0.589729  1
  Ti  Ti41  1  0.006370  0.664419  0.597846  1
  Ti  Ti42  1  0.250270  0.152111  0.613312  1
  Ti  Ti43  1  0.789257  0.908778  0.605522  1
  Ti  Ti44  1  0.032490  0.396439  0.621392  1
  Ti  Ti45  1  0.496157  0.639762  0.629489  1
  Ti  Ti46  1  0.740639  0.129037  0.645219  1
  Ti  Ti47  1  0.276649  0.883374  0.637003  1
  Ti  Ti48  1  0.517632  0.371713  0.652300  1
  Ti  Ti49  1  0.988571  0.614813  0.660705  1
  Ti  Ti50  1  0.231065  0.102820  0.675397  1
  Ti  Ti51  1  0.761036  0.859071  0.667725  1
  Ti  Ti52  1  0.008267  0.350411  0.683895  1
  Ti  Ti53  1  0.481629  0.592471  0.690728  1
  Ti  Ti54  1  0.720044  0.078411  0.704886  1
  Ti  Ti55  1  0.255802  0.838265  0.697172  1
  Ti  Ti56  1  0.495706  0.315196  0.710989  1
