# generated using pymatgen
data_Ti239Nb80
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.40600631
_cell_length_b   28.09718291
_cell_length_c   21.97435551
_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   5807.43277301
_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  0.493044  0.034429  0.834602  1
  Ti  Ti2  1  0.489388  0.239969  0.337522  1
  Ti  Ti3  1  0.494832  0.232215  0.833885  1
  Ti  Ti4  1  0.489579  0.442070  0.337628  1
  Ti  Ti5  1  0.494367  0.431797  0.832886  1
  Ti  Ti6  1  0.490474  0.642791  0.338169  1
  Ti  Ti7  1  0.493689  0.632582  0.833699  1
  Ti  Ti8  1  0.489985  0.844665  0.338136  1
  Ti  Ti9  1  0.494266  0.833622  0.835184  1
  Ti  Ti10  1  0.745811  0.043216  0.335349  1
  Ti  Ti11  1  0.746155  0.052371  0.835689  1
  Ti  Ti12  1  0.740410  0.238140  0.338262  1
  Ti  Ti13  1  0.744310  0.253284  0.834263  1
  Ti  Ti14  1  0.739435  0.441912  0.337222  1
  Ti  Ti15  1  0.743566  0.453127  0.833897  1
  Ti  Ti16  1  0.740411  0.643563  0.338143  1
  Ti  Ti17  1  0.743996  0.652714  0.835025  1
  Ti  Ti18  1  0.739814  0.846139  0.338211  1
  Ti  Ti19  1  0.744128  0.852681  0.834323  1
  Ti  Ti20  1  0.994234  0.041238  0.337752  1
  Ti  Ti21  1  0.997311  0.031377  0.833242  1
  Ti  Ti22  1  0.989157  0.241328  0.338497  1
  Ti  Ti23  1  0.994414  0.232514  0.834490  1
  Ti  Ti24  1  0.989708  0.441931  0.337249  1
  Ti  Ti25  1  0.993736  0.432779  0.833954  1
  Ti  Ti26  1  0.990399  0.642857  0.338136  1
  Ti  Ti27  1  0.993615  0.633436  0.835072  1
  Ti  Ti28  1  0.989735  0.843295  0.338673  1
  Ti  Ti29  1  0.993900  0.833310  0.834534  1
  Ti  Ti30  1  1.248457  0.043519  0.339760  1
  Ti  Ti31  1  1.245113  0.053850  0.832080  1
  Ti  Ti32  1  1.239489  0.243333  0.338075  1
  Ti  Ti33  1  1.245107  0.252874  0.833795  1
  Ti  Ti34  1  1.239451  0.442884  0.337640  1
  Ti  Ti35  1  1.243874  0.454018  0.832989  1
  Ti  Ti36  1  1.240257  0.643298  0.338139  1
  Ti  Ti37  1  1.242938  0.652960  0.833738  1
  Ti  Ti38  1  1.239693  0.843516  0.338304  1
  Ti  Ti39  1  1.244402  0.852978  0.835008  1
  Ti  Ti40  1  0.261515  -0.056988  0.279380  1
  Ti  Ti41  1  0.259435  -0.045140  0.783420  1
  Ti  Ti42  1  0.261288  0.143412  0.278786  1
  Ti  Ti43  1  0.257765  0.153273  0.785758  1
  Ti  Ti44  1  0.260672  0.342686  0.279658  1
  Ti  Ti45  1  0.258811  0.353822  0.784072  1
  Ti  Ti46  1  0.261112  0.542777  0.280248  1
  Ti  Ti47  1  0.257829  0.553235  0.784074  1
  Ti  Ti48  1  0.260174  0.743187  0.279258  1
  Ti  Ti49  1  0.259692  0.751717  0.783129  1
  Ti  Ti50  1  0.510361  -0.056839  0.279985  1
  Ti  Ti51  1  0.508867  0.933364  0.782359  1
  Ti  Ti52  1  0.511670  0.141891  0.281594  1
  Ti  Ti53  1  0.513442  0.132536  0.785935  1
  Ti  Ti54  1  0.510812  0.342540  0.279630  1
  Ti  Ti55  1  0.508648  0.331921  0.784315  1
  Ti  Ti56  1  0.511531  0.542393  0.280121  1
  Ti  Ti57  1  0.507296  0.531729  0.784318  1
  Ti  Ti58  1  0.509794  0.742691  0.278873  1
  Ti  Ti59  1  0.509688  0.732627  0.783398  1
  Ti  Ti60  1  0.761199  -0.056114  0.281190  1
  Ti  Ti61  1  0.760198  -0.048865  0.783891  1
  Ti  Ti62  1  0.762153  0.142281  0.282314  1
  Ti  Ti63  1  0.761243  0.153548  0.783508  1
  Ti  Ti64  1  0.760710  0.343180  0.279607  1
  Ti  Ti65  1  0.758734  0.353420  0.783818  1
  Ti  Ti66  1  0.761408  0.542706  0.279075  1
  Ti  Ti67  1  0.757345  0.552847  0.783352  1
  Ti  Ti68  1  0.759587  0.742998  0.279020  1
  Ti  Ti69  1  0.759039  0.753165  0.783410  1
  Ti  Ti70  1  1.011648  0.942358  0.280441  1
  Ti  Ti71  1  1.011782  0.932136  0.785109  1
  Ti  Ti72  1  1.011834  0.141509  0.280005  1
  Ti  Ti73  1  1.009070  0.131412  0.783362  1
  Ti  Ti74  1  1.010839  0.342980  0.279626  1
  Ti  Ti75  1  1.008849  0.332773  0.783455  1
  Ti  Ti76  1  1.010272  0.542497  0.279287  1
  Ti  Ti77  1  1.007862  0.532905  0.783195  1
  Ti  Ti78  1  1.009968  0.742219  0.279554  1
  Ti  Ti79  1  1.008594  0.733606  0.783155  1
  Ti  Ti80  1  0.393900  -0.056704  0.157384  1
  Ti  Ti81  1  0.397491  0.942813  0.666577  1
  Ti  Ti82  1  0.395408  0.143468  0.158747  1
  Ti  Ti83  1  0.397758  0.143686  0.677339  1
  Ti  Ti84  1  0.392149  0.342897  0.159639  1
  Ti  Ti85  1  0.397383  0.343749  0.668736  1
  Ti  Ti86  1  0.392632  0.543346  0.160416  1
  Ti  Ti87  1  0.396754  0.543528  0.668545  1
  Ti  Ti88  1  0.392788  0.743322  0.157755  1
  Ti  Ti89  1  0.397768  0.743496  0.666176  1
  Ti  Ti90  1  0.643218  0.942095  0.161653  1
  Ti  Ti91  1  0.648288  0.941683  0.665376  1
  Ti  Ti92  1  0.644982  0.142565  0.163275  1
  Ti  Ti93  1  0.648177  0.141569  0.666477  1
  Ti  Ti94  1  0.641365  0.342282  0.159331  1
  Ti  Ti95  1  0.647373  0.342074  0.668870  1
  Ti  Ti96  1  0.641937  0.542401  0.160794  1
  Ti  Ti97  1  0.646576  0.542279  0.667923  1
  Ti  Ti98  1  0.642625  0.742334  0.157590  1
  Ti  Ti99  1  0.647685  0.741816  0.666554  1
  Ti  Ti100  1  0.893387  -0.057100  0.161394  1
  Ti  Ti101  1  0.898789  -0.056673  0.670525  1
  Ti  Ti102  1  0.895013  0.143125  0.161733  1
  Ti  Ti103  1  0.897347  0.143374  0.665681  1
  Ti  Ti104  1  0.892017  0.343026  0.159268  1
  Ti  Ti105  1  0.897257  0.343624  0.667455  1
  Ti  Ti106  1  0.893361  0.543295  0.157162  1
  Ti  Ti107  1  0.896728  0.543980  0.666784  1
  Ti  Ti108  1  0.891792  0.743154  0.159331  1
  Ti  Ti109  1  0.897646  0.743637  0.666256  1
  Ti  Ti110  1  1.143490  0.942279  0.158943  1
  Ti  Ti111  1  1.148082  0.941843  0.668484  1
  Ti  Ti112  1  1.145096  0.141834  0.156542  1
  Ti  Ti113  1  1.147881  0.141986  0.668642  1
  Ti  Ti114  1  1.142078  0.342017  0.159953  1
  Ti  Ti115  1  1.147169  0.342024  0.667811  1
  Ti  Ti116  1  1.143510  0.542359  0.160379  1
  Ti  Ti117  1  1.147114  0.541989  0.667331  1
  Ti  Ti118  1  1.142347  0.742521  0.159188  1
  Ti  Ti119  1  1.147927  0.741843  0.666219  1
  Ti  Ti120  1  0.254063  -0.031038  0.061607  1
  Ti  Ti121  1  0.258393  -0.030818  0.565830  1
  Ti  Ti122  1  0.256411  0.168981  0.061242  1
  Ti  Ti123  1  0.256446  0.165252  0.568760  1
  Ti  Ti124  1  0.254294  0.368155  0.062323  1
  Ti  Ti125  1  0.253842  0.366124  0.566957  1
  Ti  Ti126  1  0.254515  0.567330  0.063504  1
  Ti  Ti127  1  0.254754  0.566839  0.566940  1
  Ti  Ti128  1  0.253608  0.768361  0.061879  1
  Ti  Ti129  1  0.254234  0.768646  0.565955  1
  Ti  Ti130  1  0.507019  0.916683  0.061869  1
  Ti  Ti131  1  0.504363  0.920711  0.566271  1
  Ti  Ti132  1  0.507321  0.116870  0.063033  1
  Ti  Ti133  1  0.498012  0.120894  0.571118  1
  Ti  Ti134  1  0.504293  0.317029  0.062325  1
  Ti  Ti135  1  0.503682  0.318827  0.567456  1
  Ti  Ti136  1  0.503016  0.516926  0.062546  1
  Ti  Ti137  1  0.504007  0.518491  0.567132  1
  Ti  Ti138  1  0.503850  0.716205  0.061144  1
  Ti  Ti139  1  0.503938  0.718373  0.565491  1
  Ti  Ti140  1  0.755194  -0.031865  0.063522  1
  Ti  Ti141  1  0.760175  -0.031602  0.567680  1
  Ti  Ti142  1  0.754117  0.168222  0.064197  1
  Ti  Ti143  1  0.755179  0.168724  0.566189  1
  Ti  Ti144  1  0.754122  0.368884  0.061992  1
  Ti  Ti145  1  0.753478  0.366204  0.567049  1
  Ti  Ti146  1  0.753329  0.568599  0.061641  1
  Ti  Ti147  1  0.753116  0.566731  0.566830  1
  Ti  Ti148  1  0.755517  0.768729  0.061607  1
  Ti  Ti149  1  0.753699  0.767845  0.565967  1
  Ti  Ti150  1  1.003193  0.917137  0.062963  1
  Ti  Ti151  1  1.008415  0.921671  0.567982  1
  Ti  Ti152  1  1.002650  0.117153  0.062232  1
  Ti  Ti153  1  1.008335  0.118693  0.566340  1
  Ti  Ti154  1  1.005022  0.317242  0.062213  1
  Ti  Ti155  1  1.003865  0.318201  0.567073  1
  Ti  Ti156  1  1.006344  0.516283  0.061668  1
  Ti  Ti157  1  1.003726  0.518121  0.566223  1
  Ti  Ti158  1  1.004814  0.715973  0.062048  1
  Ti  Ti159  1  1.004533  0.719691  0.566338  1
  Ti  Ti160  1  0.497319  0.017531  0.051910  1
  Ti  Ti161  1  0.521066  0.021294  0.546357  1
  Ti  Ti162  1  0.499586  0.218264  0.051645  1
  Ti  Ti163  1  0.498367  0.217856  0.554180  1
  Ti  Ti164  1  0.497448  0.418541  0.049926  1
  Ti  Ti165  1  0.496889  0.416879  0.554647  1
  Ti  Ti166  1  0.497067  0.617633  0.051053  1
  Ti  Ti167  1  0.497573  0.617356  0.555419  1
  Ti  Ti168  1  0.497787  0.817486  0.052127  1
  Ti  Ti169  1  0.498078  0.818829  0.554914  1
  Ti  Ti170  1  0.749241  0.066777  0.051244  1
  Ti  Ti171  1  0.745163  0.072044  0.559249  1
  Ti  Ti172  1  0.748185  0.267291  0.051365  1
  Ti  Ti173  1  0.746035  0.267994  0.554460  1
  Ti  Ti174  1  0.747415  0.467829  0.050902  1
  Ti  Ti175  1  0.747607  0.467116  0.553675  1
  Ti  Ti176  1  0.747020  0.667664  0.052012  1
  Ti  Ti177  1  0.747411  0.668780  0.555505  1
  Ti  Ti178  1  0.748896  0.867302  0.052003  1
  Ti  Ti179  1  0.748256  0.870568  0.555133  1
  Ti  Ti180  1  0.999969  0.020060  0.049764  1
  Ti  Ti181  1  0.991913  0.021557  0.550934  1
  Ti  Ti182  1  0.997682  0.218950  0.050865  1
  Ti  Ti183  1  0.999186  0.216830  0.555857  1
  Ti  Ti184  1  0.997952  0.418951  0.049909  1
  Ti  Ti185  1  0.996558  0.416727  0.554465  1
  Ti  Ti186  1  0.997989  0.616867  0.052026  1
  Ti  Ti187  1  0.996986  0.617265  0.555568  1
  Ti  Ti188  1  0.998791  0.817758  0.051775  1
  Ti  Ti189  1  0.996420  0.818749  0.555751  1
  Ti  Ti190  1  1.247314  0.068132  0.051767  1
  Ti  Ti191  1  0.253548  0.065099  0.548427  1
  Ti  Ti192  1  1.248394  0.267431  0.051404  1
  Ti  Ti193  1  1.248195  0.267462  0.555022  1
  Ti  Ti194  1  1.249083  0.466251  0.049514  1
  Ti  Ti195  1  1.246799  0.467988  0.554969  1
  Ti  Ti196  1  1.249079  0.666486  0.050734  1
  Ti  Ti197  1  1.247132  0.669006  0.555482  1
  Ti  Ti198  1  1.247914  0.867961  0.052244  1
  Ti  Ti199  1  1.248398  0.869887  0.556249  1
  Ti  Ti200  1  0.355041  0.042119  -0.048015  1
  Ti  Ti201  1  0.396580  0.042971  0.456292  1
  Ti  Ti202  1  0.355355  0.242020  -0.049662  1
  Ti  Ti203  1  0.359769  0.240682  0.457889  1
  Ti  Ti204  1  0.354555  0.442144  -0.052868  1
  Ti  Ti205  1  0.359549  0.441974  0.457589  1
  Ti  Ti206  1  0.355267  0.642395  -0.051349  1
  Ti  Ti207  1  0.360083  0.642992  0.458305  1
  Ti  Ti208  1  0.354785  0.842214  -0.047554  1
  Ti  Ti209  1  0.359876  0.844134  0.457762  1
  Ti  Ti210  1  0.605211  0.043783  -0.048072  1
  Ti  Ti211  1  0.498993  0.042497  0.337096  1
  Ti  Ti212  1  0.605018  0.243849  -0.049375  1
  Ti  Ti213  1  0.609555  0.239805  0.454150  1
  Ti  Ti214  1  0.604326  0.443867  -0.050229  1
  Ti  Ti215  1  0.609383  0.442052  0.456929  1
  Ti  Ti216  1  0.604292  0.643784  -0.049019  1
  Ti  Ti217  1  0.610424  0.643893  0.458060  1
  Ti  Ti218  1  0.605092  0.843959  -0.047992  1
  Ti  Ti219  1  0.609282  0.845433  0.457674  1
  Ti  Ti220  1  0.856440  0.041972  -0.049671  1
  Ti  Ti221  1  0.796245  0.040278  0.463490  1
  Ti  Ti222  1  0.854831  0.242132  -0.048972  1
  Ti  Ti223  1  0.857454  0.239665  0.459064  1
  Ti  Ti224  1  0.854552  0.442047  -0.049153  1
  Ti  Ti225  1  0.859323  0.441387  0.456083  1
  Ti  Ti226  1  0.854573  0.641955  -0.047427  1
  Ti  Ti227  1  0.859724  0.642933  0.458365  1
  Ti  Ti228  1  0.855049  0.842216  -0.049243  1
  Ti  Ti229  1  0.858634  0.843658  0.458128  1
  Ti  Ti230  1  1.106236  0.043722  -0.051550  1
  Ti  Ti231  1  1.098141  0.043199  0.454794  1
  Ti  Ti232  1  1.105278  0.243613  -0.049548  1
  Ti  Ti233  1  1.109340  0.242767  0.458260  1
  Ti  Ti234  1  1.104429  0.443569  -0.050490  1
  Ti  Ti235  1  1.109133  0.442855  0.457593  1
  Ti  Ti236  1  1.104192  0.643913  -0.048316  1
  Ti  Ti237  1  1.110207  0.643513  0.458535  1
  Ti  Ti238  1  1.105062  0.843878  -0.048679  1
  Ti  Ti239  1  1.109715  0.843465  0.459854  1
  Nb  Nb240  1  0.454399  0.942551  0.928081  1
  Nb  Nb241  1  0.456712  -0.055150  0.429927  1
  Nb  Nb242  1  0.453707  0.142304  0.929921  1
  Nb  Nb243  1  0.459215  0.139470  0.430181  1
  Nb  Nb244  1  0.453900  0.342166  0.929319  1
  Nb  Nb245  1  0.457945  0.340669  0.428957  1
  Nb  Nb246  1  0.451983  0.542471  0.929170  1
  Nb  Nb247  1  0.458137  0.542543  0.429988  1
  Nb  Nb248  1  0.453249  0.742625  0.928496  1
  Nb  Nb249  1  0.458111  0.743009  0.428872  1
  Nb  Nb250  1  0.704028  -0.056434  0.929458  1
  Nb  Nb251  1  0.705815  -0.052660  0.429531  1
  Nb  Nb252  1  0.703673  0.143759  0.930268  1
  Nb  Nb253  1  0.707725  0.136668  0.433529  1
  Nb  Nb254  1  0.703634  0.343593  0.928766  1
  Nb  Nb255  1  0.707612  0.341335  0.429587  1
  Nb  Nb256  1  0.702163  0.543420  0.928745  1
  Nb  Nb257  1  0.707804  0.543482  0.429202  1
  Nb  Nb258  1  0.702882  0.743584  0.929342  1
  Nb  Nb259  1  0.707701  0.744947  0.428720  1
  Nb  Nb260  1  0.954043  0.942220  0.930042  1
  Nb  Nb261  1  0.957934  0.942693  0.429987  1
  Nb  Nb262  1  0.953322  0.142196  0.929134  1
  Nb  Nb263  1  0.959171  0.140945  0.428577  1
  Nb  Nb264  1  0.954651  0.342180  0.928459  1
  Nb  Nb265  1  0.957568  0.341123  0.429280  1
  Nb  Nb266  1  0.953741  0.542333  0.927113  1
  Nb  Nb267  1  0.957434  0.541402  0.428883  1
  Nb  Nb268  1  0.952778  0.742394  0.929400  1
  Nb  Nb269  1  0.957614  0.742631  0.429104  1
  Nb  Nb270  1  1.204950  -0.056388  0.928937  1
  Nb  Nb271  1  1.205295  -0.056241  0.429485  1
  Nb  Nb272  1  1.203791  0.143244  0.928748  1
  Nb  Nb273  1  1.206851  0.143282  0.429030  1
  Nb  Nb274  1  1.203469  0.343340  0.928715  1
  Nb  Nb275  1  1.207764  0.343013  0.429368  1
  Nb  Nb276  1  1.201566  0.543696  0.929752  1
  Nb  Nb277  1  1.207666  0.543645  0.429305  1
  Nb  Nb278  1  1.203303  0.744303  0.928039  1
  Nb  Nb279  1  1.208070  0.744360  0.429111  1
  Nb  Nb280  1  0.295007  0.043294  0.188967  1
  Nb  Nb281  1  0.301579  0.042904  0.683258  1
  Nb  Nb282  1  0.293367  0.242888  0.188049  1
  Nb  Nb283  1  0.299907  0.243712  0.688473  1
  Nb  Nb284  1  0.293162  0.442913  0.187686  1
  Nb  Nb285  1  0.298094  0.443351  0.688308  1
  Nb  Nb286  1  0.293311  0.643700  0.188582  1
  Nb  Nb287  1  0.297608  0.643320  0.688442  1
  Nb  Nb288  1  0.293220  0.843720  0.188809  1
  Nb  Nb289  1  0.299022  0.843441  0.689299  1
  Nb  Nb290  1  0.544723  0.042439  0.187409  1
  Nb  Nb291  1  0.550596  0.041509  0.688991  1
  Nb  Nb292  1  0.543953  0.241891  0.189506  1
  Nb  Nb293  1  0.549851  0.242242  0.687915  1
  Nb  Nb294  1  0.543507  0.442200  0.187748  1
  Nb  Nb295  1  0.548456  0.442260  0.687881  1
  Nb  Nb296  1  0.543170  0.642297  0.188306  1
  Nb  Nb297  1  0.548208  0.642235  0.689004  1
  Nb  Nb298  1  0.543103  0.842295  0.188382  1
  Nb  Nb299  1  0.548948  0.841604  0.689451  1
  Nb  Nb300  1  0.795448  0.043132  0.186929  1
  Nb  Nb301  1  0.800812  0.043071  0.691541  1
  Nb  Nb302  1  0.793924  0.243323  0.188876  1
  Nb  Nb303  1  0.799383  0.243094  0.689146  1
  Nb  Nb304  1  0.793202  0.443572  0.187976  1
  Nb  Nb305  1  0.798307  0.443572  0.688268  1
  Nb  Nb306  1  0.793046  0.643189  0.188369  1
  Nb  Nb307  1  0.798146  0.644062  0.689208  1
  Nb  Nb308  1  0.793252  0.843030  0.188553  1
  Nb  Nb309  1  0.799023  0.843348  0.687477  1
  Nb  Nb310  1  1.045765  0.041477  0.189881  1
  Nb  Nb311  1  1.050993  0.042435  0.687423  1
  Nb  Nb312  1  1.043899  0.240723  0.189529  1
  Nb  Nb313  1  1.049287  0.242173  0.689142  1
  Nb  Nb314  1  1.043354  0.442370  0.187439  1
  Nb  Nb315  1  1.047931  0.442328  0.688386  1
  Nb  Nb316  1  1.043217  0.642246  0.187963  1
  Nb  Nb317  1  1.047674  0.642317  0.689029  1
  Nb  Nb318  1  1.043573  0.840706  0.189813  1
  Nb  Nb319  1  1.048917  0.841831  0.689344  1
