# generated using pymatgen
data_Ti240Nb79
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.85168726
_cell_length_b   27.18003899
_cell_length_c   21.20092108
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti240Nb79
_chemical_formula_sum   'Ti240 Nb79'
_cell_volume   6829.43832792
_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  0.363860  0.052843  0.338203  1
  Ti  Ti2  1  0.199945  0.040081  0.829613  1
  Ti  Ti3  1  0.164389  0.258034  0.341869  1
  Ti  Ti4  1  0.250837  0.245593  0.851967  1
  Ti  Ti5  1  0.215750  0.452899  0.354930  1
  Ti  Ti6  1  0.242368  0.468853  0.826993  1
  Ti  Ti7  1  0.252317  0.652880  0.345781  1
  Ti  Ti8  1  0.188166  0.674597  0.877671  1
  Ti  Ti9  1  0.216711  0.871108  0.300775  1
  Ti  Ti10  1  0.288367  0.843722  0.846026  1
  Ti  Ti11  1  0.560074  0.077496  0.344651  1
  Ti  Ti12  1  0.525962  0.090772  0.829370  1
  Ti  Ti13  1  0.581609  0.250453  0.333449  1
  Ti  Ti14  1  0.445999  0.271800  0.841551  1
  Ti  Ti15  1  0.568860  0.436549  0.329482  1
  Ti  Ti16  1  0.454926  0.461743  0.844879  1
  Ti  Ti17  1  0.452673  0.619281  0.311045  1
  Ti  Ti18  1  0.592187  0.652866  0.854667  1
  Ti  Ti19  1  0.412364  0.855519  0.351753  1
  Ti  Ti20  1  0.507690  0.847011  0.856749  1
  Ti  Ti21  1  0.789281  0.060144  0.361577  1
  Ti  Ti22  1  0.756079  0.072644  0.844238  1
  Ti  Ti23  1  0.785212  0.255866  0.349636  1
  Ti  Ti24  1  0.848532  0.257413  0.855200  1
  Ti  Ti25  1  0.780758  0.454620  0.337521  1
  Ti  Ti26  1  0.828068  0.454438  0.824027  1
  Ti  Ti27  1  0.817366  0.650255  0.365855  1
  Ti  Ti28  1  0.789634  0.683707  0.863566  1
  Ti  Ti29  1  0.802661  0.854404  0.346157  1
  Ti  Ti30  1  0.683755  0.886016  0.807631  1
  Ti  Ti31  1  0.979460  0.033094  0.309418  1
  Ti  Ti32  1  0.979222  0.067592  0.840763  1
  Ti  Ti33  1  0.982913  0.224554  0.376926  1
  Ti  Ti34  1  1.043953  0.221440  0.858372  1
  Ti  Ti35  1  0.997484  0.462828  0.343322  1
  Ti  Ti36  1  1.045679  0.413368  0.824093  1
  Ti  Ti37  1  1.026519  0.664972  0.348349  1
  Ti  Ti38  1  1.006500  0.650424  0.835247  1
  Ti  Ti39  1  1.006945  0.821136  0.322958  1
  Ti  Ti40  1  1.086401  0.879933  0.867583  1
  Ti  Ti41  1  0.169594  -0.034491  0.280289  1
  Ti  Ti42  1  0.250700  0.940293  0.860365  1
  Ti  Ti43  1  0.170717  0.160649  0.285572  1
  Ti  Ti44  1  0.257778  0.136631  0.777092  1
  Ti  Ti45  1  0.213526  0.354578  0.333587  1
  Ti  Ti46  1  1.071093  0.312365  0.819217  1
  Ti  Ti47  1  0.224580  0.553926  0.320398  1
  Ti  Ti48  1  0.199642  0.571042  0.798393  1
  Ti  Ti49  1  0.143022  0.747326  0.301387  1
  Ti  Ti50  1  0.170779  0.760488  0.798667  1
  Ti  Ti51  1  0.386064  0.950481  0.296360  1
  Ti  Ti52  1  0.441166  0.945790  0.799004  1
  Ti  Ti53  1  0.389315  0.149134  0.309001  1
  Ti  Ti54  1  0.440717  0.182181  0.788713  1
  Ti  Ti55  1  0.411598  0.358013  0.296212  1
  Ti  Ti56  1  0.454543  0.358997  0.769502  1
  Ti  Ti57  1  0.434945  0.522547  0.314910  1
  Ti  Ti58  1  0.429159  0.561559  0.800350  1
  Ti  Ti59  1  0.443251  0.735458  0.297117  1
  Ti  Ti60  1  0.375131  0.755024  0.816726  1
  Ti  Ti61  1  0.587581  -0.031400  0.334912  1
  Ti  Ti62  1  0.636445  -0.006072  0.809906  1
  Ti  Ti63  1  0.571461  0.162054  0.265853  1
  Ti  Ti64  1  0.660685  0.160364  0.794218  1
  Ti  Ti65  1  0.619743  0.342642  0.299356  1
  Ti  Ti66  1  0.657033  0.374966  0.817387  1
  Ti  Ti67  1  0.658343  0.542413  0.308309  1
  Ti  Ti68  1  0.624769  0.557609  0.830526  1
  Ti  Ti69  1  0.651812  0.769962  0.315305  1
  Ti  Ti70  1  0.757218  0.781895  0.825518  1
  Ti  Ti71  1  0.999357  0.919010  0.323957  1
  Ti  Ti72  1  0.824605  0.957453  0.777857  1
  Ti  Ti73  1  0.965355  0.129108  0.333936  1
  Ti  Ti74  1  0.868375  0.156711  0.846253  1
  Ti  Ti75  1  0.807409  0.359283  0.270605  1
  Ti  Ti76  1  0.876200  0.356663  0.806525  1
  Ti  Ti77  1  0.863838  0.554913  0.303072  1
  Ti  Ti78  1  1.023902  0.507757  0.826464  1
  Ti  Ti79  1  0.869437  0.744528  0.311012  1
  Ti  Ti80  1  0.963751  0.748766  0.807060  1
  Ti  Ti81  1  0.317798  0.921269  0.185289  1
  Ti  Ti82  1  0.241955  -0.032817  0.736214  1
  Ti  Ti83  1  0.328589  0.150393  0.198828  1
  Ti  Ti84  1  0.325315  0.161754  0.617110  1
  Ti  Ti85  1  0.219416  0.353564  0.209662  1
  Ti  Ti86  1  0.239033  0.367244  0.773942  1
  Ti  Ti87  1  0.318294  0.562209  0.216867  1
  Ti  Ti88  1  0.323788  0.556659  0.696900  1
  Ti  Ti89  1  0.287034  0.789321  0.236522  1
  Ti  Ti90  1  0.252455  0.751062  0.600844  1
  Ti  Ti91  1  0.496365  0.951550  0.106338  1
  Ti  Ti92  1  0.604959  0.939572  0.709460  1
  Ti  Ti93  1  0.539963  0.153275  0.129773  1
  Ti  Ti94  1  0.529763  0.175889  0.677961  1
  Ti  Ti95  1  0.597129  0.352939  0.175123  1
  Ti  Ti96  1  0.507860  0.351544  0.635474  1
  Ti  Ti97  1  0.543241  0.562449  0.208621  1
  Ti  Ti98  1  0.484292  0.565224  0.609358  1
  Ti  Ti99  1  0.556904  0.758681  0.138618  1
  Ti  Ti100  1  0.573058  0.751470  0.795081  1
  Ti  Ti101  1  0.799575  -0.039084  0.302753  1
  Ti  Ti102  1  0.765536  0.937847  0.635986  1
  Ti  Ti103  1  0.771242  0.161540  0.291215  1
  Ti  Ti104  1  0.843796  0.157184  0.725738  1
  Ti  Ti105  1  0.795168  0.349001  0.130503  1
  Ti  Ti106  1  0.799057  0.376872  0.697880  1
  Ti  Ti107  1  0.819246  0.552931  0.127072  1
  Ti  Ti108  1  0.835120  0.558648  0.796387  1
  Ti  Ti109  1  0.776388  0.764726  0.202792  1
  Ti  Ti110  1  0.721764  0.785469  0.700581  1
  Ti  Ti111  1  0.972068  -0.015094  0.214400  1
  Ti  Ti112  1  1.047019  -0.032109  0.800979  1
  Ti  Ti113  1  1.012412  0.121683  0.204344  1
  Ti  Ti114  1  1.057416  0.148030  0.774465  1
  Ti  Ti115  1  1.019668  0.360200  0.269996  1
  Ti  Ti116  1  1.024537  0.362678  0.708013  1
  Ti  Ti117  1  1.049568  0.551239  0.258552  1
  Ti  Ti118  1  1.017742  0.579510  0.737278  1
  Ti  Ti119  1  0.997533  0.758398  0.217009  1
  Ti  Ti120  1  1.065600  0.737865  0.682496  1
  Ti  Ti121  1  1.088410  -0.026132  0.069618  1
  Ti  Ti122  1  0.157567  -0.041364  0.613982  1
  Ti  Ti123  1  0.162797  0.166946  0.108666  1
  Ti  Ti124  1  0.123420  0.138446  0.619988  1
  Ti  Ti125  1  0.197592  0.338542  0.088497  1
  Ti  Ti126  1  0.112428  0.346807  0.574936  1
  Ti  Ti127  1  0.216661  0.541553  0.102667  1
  Ti  Ti128  1  0.111176  0.593345  0.617401  1
  Ti  Ti129  1  0.136488  0.754014  0.108715  1
  Ti  Ti130  1  1.078712  0.795168  0.579367  1
  Ti  Ti131  1  0.310704  0.945105  0.055454  1
  Ti  Ti132  1  0.360723  0.953696  0.607294  1
  Ti  Ti133  1  0.366188  0.143338  0.079245  1
  Ti  Ti134  1  0.511728  0.132774  0.574978  1
  Ti  Ti135  1  0.405634  0.356088  0.092193  1
  Ti  Ti136  1  0.309909  0.357597  0.608402  1
  Ti  Ti137  1  0.422637  0.569601  0.097415  1
  Ti  Ti138  1  0.281635  0.548295  0.576936  1
  Ti  Ti139  1  0.353227  0.753092  0.120393  1
  Ti  Ti140  1  0.448630  0.766226  0.572782  1
  Ti  Ti141  1  0.694622  -0.036667  0.099323  1
  Ti  Ti142  1  0.566792  0.949897  0.577982  1
  Ti  Ti143  1  0.741614  0.159029  0.108995  1
  Ti  Ti144  1  0.717628  0.161709  0.608611  1
  Ti  Ti145  1  0.595733  0.391253  0.056500  1
  Ti  Ti146  1  0.702021  0.365216  0.589448  1
  Ti  Ti147  1  0.629724  0.574062  0.082885  1
  Ti  Ti148  1  0.697259  0.562328  0.591743  1
  Ti  Ti149  1  0.739167  0.776863  0.083697  1
  Ti  Ti150  1  0.651367  0.748646  0.599740  1
  Ti  Ti151  1  0.886246  -0.036144  0.098772  1
  Ti  Ti152  1  0.956106  0.957731  0.598709  1
  Ti  Ti153  1  0.947404  0.157850  0.079585  1
  Ti  Ti154  1  0.925940  0.167560  0.590116  1
  Ti  Ti155  1  1.007303  0.360666  0.123420  1
  Ti  Ti156  1  0.912886  0.387633  0.594887  1
  Ti  Ti157  1  1.019711  0.552838  0.110924  1
  Ti  Ti158  1  0.899949  0.556655  0.606160  1
  Ti  Ti159  1  0.923369  0.744211  0.096120  1
  Ti  Ti160  1  0.881172  0.757445  0.611035  1
  Ti  Ti161  1  0.353931  0.039633  0.012250  1
  Ti  Ti162  1  0.307034  0.063578  0.561353  1
  Ti  Ti163  1  0.291892  0.241104  0.055738  1
  Ti  Ti164  1  0.314064  0.256613  0.557487  1
  Ti  Ti165  1  0.204893  0.442573  0.056607  1
  Ti  Ti166  1  0.340207  0.454566  0.538406  1
  Ti  Ti167  1  0.328792  0.657570  0.041007  1
  Ti  Ti168  1  0.298208  0.647690  0.549825  1
  Ti  Ti169  1  0.326398  0.847778  0.086468  1
  Ti  Ti170  1  0.270729  0.859248  0.546269  1
  Ti  Ti171  1  0.518986  0.068137  0.050747  1
  Ti  Ti172  1  0.526003  0.041931  0.545534  1
  Ti  Ti173  1  0.612411  0.289700  0.067151  1
  Ti  Ti174  1  0.514609  0.243559  0.582141  1
  Ti  Ti175  1  0.596112  0.486653  0.022617  1
  Ti  Ti176  1  0.543755  0.446068  0.554118  1
  Ti  Ti177  1  0.529922  0.665064  0.081028  1
  Ti  Ti178  1  0.502123  0.674635  0.542567  1
  Ti  Ti179  1  0.529689  0.858297  0.051738  1
  Ti  Ti180  1  0.679850  0.852070  0.580841  1
  Ti  Ti181  1  0.714885  0.062944  0.048827  1
  Ti  Ti182  1  0.738473  0.058964  0.541925  1
  Ti  Ti183  1  0.812557  0.253612  0.065535  1
  Ti  Ti184  1  0.898451  0.299465  0.573803  1
  Ti  Ti185  1  0.802198  0.460282  0.052004  1
  Ti  Ti186  1  0.758798  0.462704  0.554646  1
  Ti  Ti187  1  0.753987  0.675950  0.044424  1
  Ti  Ti188  1  0.699022  0.655912  0.537504  1
  Ti  Ti189  1  0.740243  0.868668  0.053754  1
  Ti  Ti190  1  0.892246  0.855571  0.560925  1
  Ti  Ti191  1  0.932136  0.057804  0.076390  1
  Ti  Ti192  1  0.098574  0.044496  0.570248  1
  Ti  Ti193  1  1.048326  0.256036  0.064774  1
  Ti  Ti194  1  1.081991  0.242847  0.540986  1
  Ti  Ti195  1  1.008431  0.460545  0.045050  1
  Ti  Ti196  1  0.984775  0.468783  0.547411  1
  Ti  Ti197  1  0.949021  0.646233  0.073299  1
  Ti  Ti198  1  1.085163  0.684221  0.572917  1
  Ti  Ti199  1  0.926331  0.872950  0.019097  1
  Ti  Ti200  1  1.080579  0.886372  0.536158  1
  Ti  Ti201  1  0.197727  -0.005253  -0.044263  1
  Ti  Ti202  1  0.168921  0.067723  0.315824  1
  Ti  Ti203  1  0.165157  0.243704  -0.030559  1
  Ti  Ti204  1  0.208366  0.281503  0.457325  1
  Ti  Ti205  1  0.125896  0.457474  0.930393  1
  Ti  Ti206  1  0.159444  0.433034  0.490014  1
  Ti  Ti207  1  0.129706  0.666696  0.027199  1
  Ti  Ti208  1  0.167559  0.656103  0.458654  1
  Ti  Ti209  1  0.143229  0.897644  -0.005963  1
  Ti  Ti210  1  0.145215  0.870664  0.408654  1
  Ti  Ti211  1  0.396004  0.032357  0.879337  1
  Ti  Ti212  1  0.423582  0.061720  0.451094  1
  Ti  Ti213  1  0.447997  0.280876  -0.001170  1
  Ti  Ti214  1  0.367675  0.258223  0.349967  1
  Ti  Ti215  1  0.402764  0.451202  0.031625  1
  Ti  Ti216  1  0.402145  0.449182  0.401381  1
  Ti  Ti217  1  0.389593  0.656584  0.865118  1
  Ti  Ti218  1  0.410127  0.664098  0.428541  1
  Ti  Ti219  1  0.358862  0.879942  -0.043433  1
  Ti  Ti220  1  0.489429  0.860469  0.517481  1
  Ti  Ti221  1  0.606273  0.066968  0.929606  1
  Ti  Ti222  1  0.615695  0.026263  0.434544  1
  Ti  Ti223  1  0.640214  0.286456  0.877700  1
  Ti  Ti224  1  0.710010  0.257266  0.550375  1
  Ti  Ti225  1  0.644883  0.460494  0.897502  1
  Ti  Ti226  1  0.639422  0.453316  0.440230  1
  Ti  Ti227  1  0.524322  0.626632  -0.027441  1
  Ti  Ti228  1  0.610937  0.678248  0.374558  1
  Ti  Ti229  1  0.711274  0.844739  0.929838  1
  Ti  Ti230  1  0.602660  0.875244  0.394990  1
  Ti  Ti231  1  0.829979  0.104522  -0.036674  1
  Ti  Ti232  1  0.928598  0.089219  0.515984  1
  Ti  Ti233  1  0.939220  0.216077  -0.030023  1
  Ti  Ti234  1  0.890475  0.228645  0.490491  1
  Ti  Ti235  1  0.910321  0.457194  0.924795  1
  Ti  Ti236  1  0.858599  0.465290  0.448936  1
  Ti  Ti237  1  0.929872  0.683929  -0.042999  1
  Ti  Ti238  1  0.902885  0.650286  0.546167  1
  Ti  Ti239  1  0.882438  0.863430  0.869948  1
  Ti  Ti240  1  0.949711  0.863476  0.434400  1
  Nb  Nb241  1  0.155368  -0.010228  0.440617  1
  Nb  Nb242  1  0.274193  0.143582  0.932247  1
  Nb  Nb243  1  0.152138  0.136983  0.448833  1
  Nb  Nb244  1  0.170005  0.351154  0.941442  1
  Nb  Nb245  1  1.001002  0.353014  0.430769  1
  Nb  Nb246  1  0.168075  0.563809  -0.048838  1
  Nb  Nb247  1  0.133931  0.553476  0.448525  1
  Nb  Nb248  1  0.212718  0.774154  -0.037389  1
  Nb  Nb249  1  0.144265  0.763714  0.444563  1
  Nb  Nb250  1  0.541461  0.953228  0.946395  1
  Nb  Nb251  1  0.325824  0.956789  0.445887  1
  Nb  Nb252  1  0.473913  0.168075  0.947165  1
  Nb  Nb253  1  0.323511  0.164457  0.450312  1
  Nb  Nb254  1  0.355456  0.366799  0.928722  1
  Nb  Nb255  1  0.430332  0.345360  0.461660  1
  Nb  Nb256  1  0.351690  0.548149  0.948023  1
  Nb  Nb257  1  0.457388  0.555603  0.452202  1
  Nb  Nb258  1  0.416854  0.757818  -0.032856  1
  Nb  Nb259  1  0.331162  0.768797  0.432092  1
  Nb  Nb260  1  0.729823  -0.035535  0.944166  1
  Nb  Nb261  1  0.780762  0.950028  0.469184  1
  Nb  Nb262  1  0.652349  0.184508  -0.039660  1
  Nb  Nb263  1  0.534341  0.175135  0.449154  1
  Nb  Nb264  1  0.781648  0.354717  -0.035052  1
  Nb  Nb265  1  0.615105  0.339345  0.454596  1
  Nb  Nb266  1  0.776938  0.568263  -0.044896  1
  Nb  Nb267  1  0.646893  0.561589  0.448837  1
  Nb  Nb268  1  0.601051  0.752480  -0.037147  1
  Nb  Nb269  1  0.736050  0.766825  0.461050  1
  Nb  Nb270  1  0.913745  -0.018832  0.937131  1
  Nb  Nb271  1  0.950550  -0.019437  0.444137  1
  Nb  Nb272  1  0.111890  0.113170  -0.037555  1
  Nb  Nb273  1  0.710702  0.153709  0.443705  1
  Nb  Nb274  1  0.964340  0.345403  -0.039168  1
  Nb  Nb275  1  0.818581  0.351117  0.438086  1
  Nb  Nb276  1  0.961432  0.566596  -0.050079  1
  Nb  Nb277  1  0.948325  0.565111  0.447974  1
  Nb  Nb278  1  1.024016  0.777756  -0.043143  1
  Nb  Nb279  1  0.921474  0.752997  0.456290  1
  Nb  Nb280  1  0.369423  0.043694  0.188972  1
  Nb  Nb281  1  0.383675  0.053900  0.701762  1
  Nb  Nb282  1  0.317106  0.258691  0.195891  1
  Nb  Nb283  1  0.233719  0.256751  0.696365  1
  Nb  Nb284  1  0.311948  0.451609  0.201233  1
  Nb  Nb285  1  0.236479  0.457191  0.680963  1
  Nb  Nb286  1  0.261876  0.660346  0.191732  1
  Nb  Nb287  1  0.282637  0.670937  0.708646  1
  Nb  Nb288  1  1.093082  0.866595  0.160811  1
  Nb  Nb289  1  0.303120  0.851158  0.698488  1
  Nb  Nb290  1  0.567965  0.041279  0.206892  1
  Nb  Nb291  1  0.571492  0.056391  0.694655  1
  Nb  Nb292  1  0.504519  0.257181  0.188511  1
  Nb  Nb293  1  0.654009  0.269553  0.715209  1
  Nb  Nb294  1  0.506182  0.455436  0.187916  1
  Nb  Nb295  1  0.524729  0.464035  0.702113  1
  Nb  Nb296  1  0.630691  0.662114  0.211395  1
  Nb  Nb297  1  0.468075  0.667045  0.697248  1
  Nb  Nb298  1  0.537240  0.859733  0.216610  1
  Nb  Nb299  1  0.484888  0.845077  0.694019  1
  Nb  Nb300  1  0.747682  0.061122  0.204434  1
  Nb  Nb301  1  0.778697  0.056813  0.685865  1
  Nb  Nb302  1  0.871838  0.245806  0.209402  1
  Nb  Nb303  1  0.838811  0.260997  0.701634  1
  Nb  Nb304  1  0.760911  0.460490  0.194339  1
  Nb  Nb305  1  0.708672  0.475725  0.706233  1
  Nb  Nb306  1  0.813775  0.653014  0.207249  1
  Nb  Nb307  1  0.667786  0.650620  0.705492  1
  Nb  Nb308  1  0.717700  0.874405  0.212488  1
  Nb  Nb309  1  0.920372  0.858579  0.714845  1
  Nb  Nb310  1  0.195525  0.043973  0.154106  1
  Nb  Nb311  1  0.967455  0.053297  0.694029  1
  Nb  Nb312  1  1.056517  0.248026  0.208663  1
  Nb  Nb313  1  1.045655  0.252228  0.691892  1
  Nb  Nb314  1  1.046060  0.455033  0.200842  1
  Nb  Nb315  1  1.050118  0.467162  0.681966  1
  Nb  Nb316  1  1.075577  0.654380  0.200126  1
  Nb  Nb317  1  0.848212  0.665346  0.706143  1
  Nb  Nb318  1  0.918203  0.867313  0.190775  1
  Nb  Nb319  1  0.102397  0.863034  0.708455  1
