# generated using pymatgen
data_Ti239Nb80
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.28949912
_cell_length_b   27.01054826
_cell_length_c   21.27929325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti239Nb80
_chemical_formula_sum   'Ti239 Nb80'
_cell_volume   7063.57859784
_cell_formula_units_Z   1
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  0.303648  0.053896  0.338649  1
  Ti  Ti2  1  0.355727  0.101376  0.819516  1
  Ti  Ti3  1  0.234848  0.268523  0.356880  1
  Ti  Ti4  1  0.305625  0.269568  0.854386  1
  Ti  Ti5  1  0.350673  0.461926  0.343204  1
  Ti  Ti6  1  0.312038  0.479670  0.886654  1
  Ti  Ti7  1  0.216219  0.662871  0.375775  1
  Ti  Ti8  1  0.314629  0.648938  0.873944  1
  Ti  Ti9  1  0.221720  0.843051  0.347108  1
  Ti  Ti10  1  0.335057  0.849849  0.805158  1
  Ti  Ti11  1  0.511060  0.069976  0.341205  1
  Ti  Ti12  1  0.525880  0.059760  0.862031  1
  Ti  Ti13  1  0.610735  0.248978  0.303879  1
  Ti  Ti14  1  0.511363  0.265662  0.836676  1
  Ti  Ti15  1  0.546695  0.445378  0.356781  1
  Ti  Ti16  1  0.508320  0.462884  0.833809  1
  Ti  Ti17  1  0.604267  0.675077  0.298780  1
  Ti  Ti18  1  0.518569  0.669884  0.857979  1
  Ti  Ti19  1  0.615155  0.870027  0.351290  1
  Ti  Ti20  1  0.539711  0.857291  0.836402  1
  Ti  Ti21  1  0.703380  0.057763  0.349604  1
  Ti  Ti22  1  0.746764  0.048769  0.836962  1
  Ti  Ti23  1  0.816691  0.256040  0.339801  1
  Ti  Ti24  1  0.787296  0.285579  0.823788  1
  Ti  Ti25  1  0.749998  0.457872  0.351400  1
  Ti  Ti26  1  0.742500  0.470331  0.838841  1
  Ti  Ti27  1  0.790835  0.655318  0.356171  1
  Ti  Ti28  1  0.737815  0.663222  0.862414  1
  Ti  Ti29  1  0.810948  0.849686  0.356588  1
  Ti  Ti30  1  0.746758  0.869000  0.851685  1
  Ti  Ti31  1  0.095212  0.058896  0.310842  1
  Ti  Ti32  1  0.951629  0.053615  0.794645  1
  Ti  Ti33  1  1.023989  0.263370  0.349297  1
  Ti  Ti34  1  0.973958  0.243368  0.829981  1
  Ti  Ti35  1  0.942609  0.450434  0.326599  1
  Ti  Ti36  1  0.969655  0.467026  0.848530  1
  Ti  Ti37  1  1.011378  0.647720  0.360048  1
  Ti  Ti38  1  0.931462  0.654152  0.804959  1
  Ti  Ti39  1  1.019028  0.865266  0.329804  1
  Ti  Ti40  1  0.942388  0.874067  0.861452  1
  Ti  Ti41  1  0.108686  0.959023  0.260031  1
  Ti  Ti42  1  0.083533  -0.031150  0.810107  1
  Ti  Ti43  1  1.047956  0.162772  0.339076  1
  Ti  Ti44  1  0.158938  0.157973  0.799643  1
  Ti  Ti45  1  0.178421  0.361067  0.297048  1
  Ti  Ti46  1  0.077555  0.353961  0.829069  1
  Ti  Ti47  1  0.179356  0.567591  0.304705  1
  Ti  Ti48  1  0.112296  0.573544  0.805626  1
  Ti  Ti49  1  0.205908  0.752476  0.324497  1
  Ti  Ti50  1  0.143069  0.774717  0.800167  1
  Ti  Ti51  1  0.328036  0.955808  0.285023  1
  Ti  Ti52  1  0.292038  -0.037451  0.818420  1
  Ti  Ti53  1  0.441937  0.157452  0.278768  1
  Ti  Ti54  1  0.360223  0.192154  0.802968  1
  Ti  Ti55  1  0.383489  0.364266  0.299505  1
  Ti  Ti56  1  0.280592  0.363320  0.804579  1
  Ti  Ti57  1  0.381503  0.556687  0.291873  1
  Ti  Ti58  1  0.332521  0.565447  0.811588  1
  Ti  Ti59  1  0.419065  0.760139  0.299792  1
  Ti  Ti60  1  0.346985  0.746032  0.804252  1
  Ti  Ti61  1  0.504870  -0.027051  0.341652  1
  Ti  Ti62  1  0.681651  -0.038510  0.786628  1
  Ti  Ti63  1  0.643810  0.153466  0.291125  1
  Ti  Ti64  1  0.565486  0.160022  0.826045  1
  Ti  Ti65  1  0.593245  0.350356  0.310995  1
  Ti  Ti66  1  0.655586  0.370621  0.812279  1
  Ti  Ti67  1  0.591017  0.570334  0.308098  1
  Ti  Ti68  1  0.673948  0.564700  0.799248  1
  Ti  Ti69  1  0.632425  0.770378  0.305074  1
  Ti  Ti70  1  0.570829  0.761970  0.826613  1
  Ti  Ti71  1  0.907532  0.950871  0.296353  1
  Ti  Ti72  1  0.876152  -0.038439  0.802394  1
  Ti  Ti73  1  0.856455  0.163682  0.285086  1
  Ti  Ti74  1  0.779726  0.160293  0.837880  1
  Ti  Ti75  1  0.990276  0.355499  0.278748  1
  Ti  Ti76  1  0.867086  0.383999  0.821897  1
  Ti  Ti77  1  0.977486  0.554782  0.327277  1
  Ti  Ti78  1  0.888038  0.557748  0.809205  1
  Ti  Ti79  1  0.838427  0.751110  0.300716  1
  Ti  Ti80  1  0.951818  0.755243  0.782196  1
  Ti  Ti81  1  0.289257  0.951396  0.593055  1
  Ti  Ti82  1  0.228449  0.142235  0.273812  1
  Ti  Ti83  1  0.285226  0.163200  0.692908  1
  Ti  Ti84  1  0.251816  0.353231  0.177665  1
  Ti  Ti85  1  0.294436  0.374581  0.631632  1
  Ti  Ti86  1  0.253534  0.564827  0.180132  1
  Ti  Ti87  1  0.310212  0.547387  0.635070  1
  Ti  Ti88  1  0.216262  0.760101  0.097804  1
  Ti  Ti89  1  0.270591  0.792970  0.696304  1
  Ti  Ti90  1  0.532675  0.954937  0.226451  1
  Ti  Ti91  1  0.485600  0.951555  0.788538  1
  Ti  Ti92  1  0.523316  0.176799  0.131003  1
  Ti  Ti93  1  0.469440  0.159296  0.718540  1
  Ti  Ti94  1  0.553876  0.329382  0.191867  1
  Ti  Ti95  1  0.467840  0.377558  0.762491  1
  Ti  Ti96  1  0.542841  0.591499  0.196772  1
  Ti  Ti97  1  0.494822  0.542329  0.745257  1
  Ti  Ti98  1  0.532596  0.735998  0.193015  1
  Ti  Ti99  1  0.475780  0.779325  0.717001  1
  Ti  Ti100  1  0.702508  0.957101  0.291509  1
  Ti  Ti101  1  0.804591  -0.006235  0.684512  1
  Ti  Ti102  1  0.711855  0.175312  0.176600  1
  Ti  Ti103  1  0.849244  0.153888  0.616177  1
  Ti  Ti104  1  0.793718  0.378180  0.265013  1
  Ti  Ti105  1  0.783260  0.342135  0.715618  1
  Ti  Ti106  1  0.788726  0.537301  0.275487  1
  Ti  Ti107  1  0.810036  0.577069  0.698765  1
  Ti  Ti108  1  0.725378  0.738937  0.192714  1
  Ti  Ti109  1  0.753845  0.775185  0.781034  1
  Ti  Ti110  1  1.059200  -0.038390  0.129560  1
  Ti  Ti111  1  0.992643  -0.011216  0.696358  1
  Ti  Ti112  1  1.035460  0.131164  0.214078  1
  Ti  Ti113  1  0.946427  0.151537  0.765330  1
  Ti  Ti114  1  1.041642  0.358624  0.129951  1
  Ti  Ti115  1  0.981457  0.348922  0.723289  1
  Ti  Ti116  1  1.054411  0.576128  0.106578  1
  Ti  Ti117  1  1.010305  0.586434  0.700684  1
  Ti  Ti118  1  1.021617  0.774171  0.265842  1
  Ti  Ti119  1  0.961501  0.750985  0.643411  1
  Ti  Ti120  1  0.268570  0.958124  0.081498  1
  Ti  Ti121  1  0.083082  -0.022425  0.581559  1
  Ti  Ti122  1  0.130614  0.154700  0.098289  1
  Ti  Ti123  1  0.230573  0.163395  0.575675  1
  Ti  Ti124  1  0.214615  0.354985  0.063689  1
  Ti  Ti125  1  0.089758  0.376648  0.607416  1
  Ti  Ti126  1  0.237865  0.554875  0.064479  1
  Ti  Ti127  1  0.120150  0.571759  0.590927  1
  Ti  Ti128  1  1.027835  0.771980  0.127320  1
  Ti  Ti129  1  0.144309  0.775463  0.583548  1
  Ti  Ti130  1  0.465201  0.954045  0.097730  1
  Ti  Ti131  1  0.476641  -0.017520  0.553832  1
  Ti  Ti132  1  0.322064  0.156722  0.107442  1
  Ti  Ti133  1  0.426481  0.173357  0.600433  1
  Ti  Ti134  1  0.429189  0.358557  0.099801  1
  Ti  Ti135  1  0.479920  0.362012  0.579389  1
  Ti  Ti136  1  0.432434  0.561559  0.095578  1
  Ti  Ti137  1  0.498122  0.564699  0.612189  1
  Ti  Ti138  1  0.425265  0.758999  0.087257  1
  Ti  Ti139  1  0.362222  0.755037  0.597975  1
  Ti  Ti140  1  0.658525  0.957556  0.107443  1
  Ti  Ti141  1  0.674305  -0.027445  0.596134  1
  Ti  Ti142  1  0.708442  0.138481  0.057861  1
  Ti  Ti143  1  0.625268  0.164655  0.587041  1
  Ti  Ti144  1  0.655666  0.363257  0.095371  1
  Ti  Ti145  1  0.685193  0.355466  0.590864  1
  Ti  Ti146  1  0.655515  0.561399  0.103478  1
  Ti  Ti147  1  0.691497  0.564071  0.599460  1
  Ti  Ti148  1  0.633260  0.764873  0.072690  1
  Ti  Ti149  1  0.568817  0.757593  0.597644  1
  Ti  Ti150  1  0.856605  0.959521  0.091799  1
  Ti  Ti151  1  0.887032  0.943354  0.587269  1
  Ti  Ti152  1  0.911597  0.149880  0.101602  1
  Ti  Ti153  1  1.028193  0.182535  0.560300  1
  Ti  Ti154  1  0.847353  0.395707  0.134792  1
  Ti  Ti155  1  0.885768  0.356418  0.603236  1
  Ti  Ti156  1  0.857512  0.534156  0.113112  1
  Ti  Ti157  1  0.911825  0.552161  0.584299  1
  Ti  Ti158  1  0.849656  0.751519  0.092991  1
  Ti  Ti159  1  0.768095  0.762036  0.605187  1
  Ti  Ti160  1  0.248990  0.056514  0.032946  1
  Ti  Ti161  1  0.265771  0.054028  0.536069  1
  Ti  Ti162  1  0.177380  0.260077  0.036655  1
  Ti  Ti163  1  0.247238  0.264383  0.551235  1
  Ti  Ti164  1  0.175179  0.452065  0.032071  1
  Ti  Ti165  1  0.267848  0.458711  0.567960  1
  Ti  Ti166  1  0.202285  0.656438  0.037206  1
  Ti  Ti167  1  0.357532  0.659304  0.538140  1
  Ti  Ti168  1  0.250710  0.866469  0.037424  1
  Ti  Ti169  1  0.308721  0.852749  0.567973  1
  Ti  Ti170  1  0.448144  0.054203  0.027177  1
  Ti  Ti171  1  0.466521  0.084957  0.556838  1
  Ti  Ti172  1  0.577764  0.265018  0.075934  1
  Ti  Ti173  1  0.441111  0.265174  0.535487  1
  Ti  Ti174  1  0.556169  0.450262  0.045340  1
  Ti  Ti175  1  0.465406  0.464613  0.585459  1
  Ti  Ti176  1  0.606692  0.664257  0.095676  1
  Ti  Ti177  1  0.550069  0.656318  0.545594  1
  Ti  Ti178  1  0.462466  0.857878  0.043981  1
  Ti  Ti179  1  0.483980  0.888441  0.500491  1
  Ti  Ti180  1  0.651161  0.048643  0.040130  1
  Ti  Ti181  1  0.695222  0.070807  0.561214  1
  Ti  Ti182  1  0.767848  0.224059  0.031033  1
  Ti  Ti183  1  0.818246  0.257617  0.571666  1
  Ti  Ti184  1  0.752898  0.457900  0.049559  1
  Ti  Ti185  1  0.869390  0.455876  0.538424  1
  Ti  Ti186  1  0.807273  0.660751  0.039010  1
  Ti  Ti187  1  0.745232  0.657650  0.542478  1
  Ti  Ti188  1  0.678519  0.863754  0.043608  1
  Ti  Ti189  1  0.874512  0.844926  0.554229  1
  Ti  Ti190  1  1.064070  0.062841  0.098034  1
  Ti  Ti191  1  0.899236  0.048213  0.582234  1
  Ti  Ti192  1  0.991545  0.226613  0.036248  1
  Ti  Ti193  1  1.027857  0.285266  0.559977  1
  Ti  Ti194  1  0.970294  0.456972  0.052287  1
  Ti  Ti195  1  1.069682  0.474130  0.550365  1
  Ti  Ti196  1  1.011934  0.674615  0.050338  1
  Ti  Ti197  1  0.943810  0.652620  0.593633  1
  Ti  Ti198  1  1.049787  0.867336  0.066275  1
  Ti  Ti199  1  1.069834  0.878018  0.551336  1
  Ti  Ti200  1  0.163697  0.056770  0.833572  1
  Ti  Ti201  1  1.066014  0.084380  0.505055  1
  Ti  Ti202  1  0.130367  0.270146  0.900610  1
  Ti  Ti203  1  0.125719  0.236622  0.461434  1
  Ti  Ti204  1  0.127846  0.431311  0.906821  1
  Ti  Ti205  1  0.155390  0.466025  0.352668  1
  Ti  Ti206  1  0.116095  0.671409  0.859987  1
  Ti  Ti207  1  0.154449  0.671883  0.535835  1
  Ti  Ti208  1  0.136489  0.870132  0.862069  1
  Ti  Ti209  1  0.179253  0.833639  0.470109  1
  Ti  Ti210  1  0.316759  0.036763  0.909301  1
  Ti  Ti211  1  0.411917  0.030566  0.446019  1
  Ti  Ti212  1  0.366273  0.264812  0.061481  1
  Ti  Ti213  1  0.452892  0.285707  0.381700  1
  Ti  Ti214  1  0.370942  0.475244  0.019084  1
  Ti  Ti215  1  0.507550  0.417615  0.470358  1
  Ti  Ti216  1  0.410463  0.658158  0.036061  1
  Ti  Ti217  1  0.418942  0.649394  0.354349  1
  Ti  Ti218  1  0.305325  0.893604  0.920154  1
  Ti  Ti219  1  0.424762  0.873715  0.358524  1
  Ti  Ti220  1  0.690081  0.100791  0.933298  1
  Ti  Ti221  1  0.595016  0.054980  0.465300  1
  Ti  Ti222  1  0.665656  0.230059  0.904637  1
  Ti  Ti223  1  0.632002  0.273747  0.518179  1
  Ti  Ti224  1  0.638683  0.449896  0.930515  1
  Ti  Ti225  1  0.667275  0.448313  0.530779  1
  Ti  Ti226  1  0.611088  0.691991  -0.025621  1
  Ti  Ti227  1  0.596124  0.656759  0.419574  1
  Ti  Ti228  1  0.583900  0.820619  -0.049578  1
  Ti  Ti229  1  0.690116  0.857238  0.524266  1
  Ti  Ti230  1  0.854761  0.058299  0.060951  1
  Ti  Ti231  1  0.909415  0.073396  0.352074  1
  Ti  Ti232  1  0.871700  0.217242  0.927251  1
  Ti  Ti233  1  0.925616  0.247123  0.461295  1
  Ti  Ti234  1  0.854056  0.450580  0.938420  1
  Ti  Ti235  1  0.996629  0.493365  0.434197  1
  Ti  Ti236  1  0.932223  0.663655  0.925221  1
  Ti  Ti237  1  0.998298  0.614171  0.481569  1
  Ti  Ti238  1  0.868918  0.873647  0.021121  1
  Ti  Ti239  1  0.955625  0.864940  0.446119  1
  Nb  Nb240  1  0.080534  -0.023089  -0.039488  1
  Nb  Nb241  1  0.081787  -0.027784  0.429149  1
  Nb  Nb242  1  0.105314  0.145483  0.940317  1
  Nb  Nb243  1  0.278901  0.154591  0.430224  1
  Nb  Nb244  1  0.962318  0.343763  -0.026622  1
  Nb  Nb245  1  0.114892  0.368153  0.451163  1
  Nb  Nb246  1  0.087909  0.558987  -0.050941  1
  Nb  Nb247  1  0.236581  0.555428  0.458754  1
  Nb  Nb248  1  0.181693  0.767239  -0.049134  1
  Nb  Nb249  1  0.999854  0.747755  0.452098  1
  Nb  Nb250  1  0.514994  0.954381  0.943142  1
  Nb  Nb251  1  0.250710  0.950583  0.434290  1
  Nb  Nb252  1  0.300486  0.166106  -0.049053  1
  Nb  Nb253  1  0.453779  0.166832  0.436591  1
  Nb  Nb254  1  0.401305  0.358950  0.944643  1
  Nb  Nb255  1  0.291160  0.368197  0.458557  1
  Nb  Nb256  1  0.525658  0.564553  0.947075  1
  Nb  Nb257  1  0.411120  0.547418  0.461313  1
  Nb  Nb258  1  0.361879  0.763774  0.943162  1
  Nb  Nb259  1  0.415861  0.762551  0.450661  1
  Nb  Nb260  1  0.691783  -0.038844  0.943975  1
  Nb  Nb261  1  0.711200  0.957884  0.447687  1
  Nb  Nb262  1  0.474896  0.169067  -0.035162  1
  Nb  Nb263  1  0.657037  0.172370  0.438922  1
  Nb  Nb264  1  0.577211  0.344890  0.946413  1
  Nb  Nb265  1  0.745605  0.349884  0.432691  1
  Nb  Nb266  1  0.702294  0.565878  -0.043492  1
  Nb  Nb267  1  0.603787  0.545841  0.448182  1
  Nb  Nb268  1  0.811375  0.767502  0.936887  1
  Nb  Nb269  1  0.593938  0.765829  0.445942  1
  Nb  Nb270  1  0.906662  -0.011844  0.947191  1
  Nb  Nb271  1  0.882304  -0.022103  0.447832  1
  Nb  Nb272  1  0.965306  0.092848  0.940793  1
  Nb  Nb273  1  0.828768  0.150652  0.451627  1
  Nb  Nb274  1  0.788736  0.340846  -0.037787  1
  Nb  Nb275  1  0.920994  0.364649  0.440289  1
  Nb  Nb276  1  0.906470  0.558715  -0.041245  1
  Nb  Nb277  1  0.781927  0.556410  0.447744  1
  Nb  Nb278  1  0.989689  0.773985  -0.051012  1
  Nb  Nb279  1  0.824581  0.747223  0.454951  1
  Nb  Nb280  1  0.307604  0.049325  0.188308  1
  Nb  Nb281  1  0.303004  0.044692  0.696180  1
  Nb  Nb282  1  0.184937  0.246541  0.203433  1
  Nb  Nb283  1  0.253833  0.274096  0.700302  1
  Nb  Nb284  1  0.230848  0.459074  0.187779  1
  Nb  Nb285  1  0.206270  0.466197  0.728440  1
  Nb  Nb286  1  0.194597  0.674599  0.204774  1
  Nb  Nb287  1  0.333968  0.659846  0.701133  1
  Nb  Nb288  1  0.279411  0.854193  0.198237  1
  Nb  Nb289  1  0.121642  0.879075  0.701012  1
  Nb  Nb290  1  0.486858  0.061803  0.185129  1
  Nb  Nb291  1  0.497125  0.048676  0.695721  1
  Nb  Nb292  1  0.364821  0.253989  0.214534  1
  Nb  Nb293  1  0.513158  0.273759  0.691201  1
  Nb  Nb294  1  0.431996  0.458758  0.190802  1
  Nb  Nb295  1  0.653229  0.455947  0.688498  1
  Nb  Nb296  1  0.369266  0.665206  0.195995  1
  Nb  Nb297  1  0.532922  0.662168  0.707109  1
  Nb  Nb298  1  0.459603  0.851816  0.198284  1
  Nb  Nb299  1  0.565258  0.874632  0.671557  1
  Nb  Nb300  1  0.677761  0.059999  0.194098  1
  Nb  Nb301  1  0.664110  0.082081  0.711421  1
  Nb  Nb302  1  0.816597  0.267938  0.180076  1
  Nb  Nb303  1  0.679239  0.243748  0.704124  1
  Nb  Nb304  1  0.608437  0.461313  0.202560  1
  Nb  Nb305  1  0.831472  0.463094  0.694203  1
  Nb  Nb306  1  0.825679  0.644664  0.200254  1
  Nb  Nb307  1  0.710961  0.671912  0.703427  1
  Nb  Nb308  1  0.664559  0.852368  0.194053  1
  Nb  Nb309  1  0.742069  0.866788  0.695053  1
  Nb  Nb310  1  0.854300  0.049283  0.207058  1
  Nb  Nb311  1  0.137005  0.075748  0.674346  1
  Nb  Nb312  1  0.993948  0.254088  0.191372  1
  Nb  Nb313  1  0.080586  0.253724  0.698867  1
  Nb  Nb314  1  1.054659  0.470751  0.202801  1
  Nb  Nb315  1  1.029503  0.465640  0.710619  1
  Nb  Nb316  1  1.003255  0.655056  0.207631  1
  Nb  Nb317  1  0.160051  0.672070  0.699525  1
  Nb  Nb318  1  0.841312  0.861603  0.193527  1
  Nb  Nb319  1  0.944502  0.866831  0.702561  1
