# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.10801689
_cell_length_b   14.13252916
_cell_length_c   51.89599631
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.94259065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al
_chemical_formula_sum   'Nb160 Al80'
_cell_volume   8966.05282422
_cell_formula_units_Z   80
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
  Nb  Nb1  1  0.367278  0.260895  0.330343  1
  Nb  Nb2  1  0.535165  0.596184  0.387360  1
  Nb  Nb3  1  0.719247  0.163401  0.286511  1
  Nb  Nb4  1  0.881677  0.495967  0.335419  1
  Nb  Nb5  1  0.923508  0.163766  0.285863  1
  Nb  Nb6  1  0.087498  0.494468  0.335775  1
  Nb  Nb7  1  0.435247  0.394379  0.286312  1
  Nb  Nb8  1  0.602842  0.730466  0.340850  1
  Nb  Nb9  1  0.170079  0.194471  0.352640  1
  Nb  Nb10  1  0.990197  0.858491  0.301290  1
  Nb  Nb11  1  0.005084  0.940323  0.354749  1
  Nb  Nb12  1  0.840097  0.599766  0.301608  1
  Nb  Nb13  1  0.962582  0.056822  0.314570  1
  Nb  Nb14  1  0.135244  0.387036  0.372836  1
  Nb  Nb15  1  0.968271  0.130630  0.374236  1
  Nb  Nb16  1  0.810968  0.800792  0.317561  1
  Nb  Nb17  1  0.410291  0.940323  0.354733  1
  Nb  Nb18  1  0.235274  0.600628  0.301673  1
  Nb  Nb19  1  0.569563  0.057449  0.314664  1
  Nb  Nb20  1  0.727058  0.387425  0.373139  1
  Nb  Nb21  1  0.498739  0.194161  0.352713  1
  Nb  Nb22  1  0.343248  0.858512  0.301336  1
  Nb  Nb23  1  0.637573  0.130692  0.374231  1
  Nb  Nb24  1  0.464829  0.800796  0.317541  1
  Nb  Nb25  1  0.253285  0.031736  0.365279  1
  Nb  Nb26  1  0.083558  0.693127  0.309368  1
  Nb  Nb27  1  0.617350  0.408212  0.320684  1
  Nb  Nb28  1  0.789455  0.745142  0.377211  1
  Nb  Nb29  1  0.267594  0.409523  0.320548  1
  Nb  Nb30  1  0.430549  0.745018  0.377227  1
  Nb  Nb31  1  0.799092  0.122236  0.333886  1
  Nb  Nb32  1  0.966097  0.457637  0.390033  1
  Nb  Nb33  1  0.182731  0.245766  0.295434  1
  Nb  Nb34  1  0.348463  0.579897  0.348927  1
  Nb  Nb35  1  0.536412  0.244568  0.295552  1
  Nb  Nb36  1  0.707359  0.579472  0.349295  1
  Nb  Nb37  1  0.004142  0.535421  0.284897  1
  Nb  Nb38  1  0.170996  0.866855  0.338139  1
  Nb  Nb39  1  0.884017  0.292587  0.362872  1
  Nb  Nb40  1  0.716190  0.957016  0.306718  1
  Nb  Nb41  1  0.701844  0.928733  0.442025  1
  Nb  Nb42  1  0.869176  0.263329  0.497892  1
  Nb  Nb43  1  0.049333  0.829767  0.391777  1
  Nb  Nb44  1  0.216960  0.164641  0.447208  1
  Nb  Nb45  1  0.255290  0.829631  0.391794  1
  Nb  Nb46  1  0.422682  0.164640  0.447212  1
  Nb  Nb47  1  0.770412  0.065811  0.396520  1
  Nb  Nb48  1  0.937413  0.399808  0.452146  1
  Nb  Nb49  1  0.503916  0.863172  0.464325  1
  Nb  Nb50  1  0.336869  0.529535  0.408699  1
  Nb  Nb51  1  0.339330  0.608309  0.466056  1
  Nb  Nb52  1  0.171799  0.273803  0.410328  1
  Nb  Nb53  1  0.300230  0.720788  0.428162  1
  Nb  Nb54  1  0.467304  0.054864  0.483912  1
  Nb  Nb55  1  0.302703  0.800070  0.485566  1
  Nb  Nb56  1  0.135746  0.465865  0.430012  1
  Nb  Nb57  1  0.743983  0.608315  0.466057  1
  Nb  Nb58  1  0.577018  0.273748  0.410312  1
  Nb  Nb59  1  0.895556  0.720888  0.428200  1
  Nb  Nb60  1  0.062562  0.054870  0.483916  1
  Nb  Nb61  1  0.834252  0.863183  0.464330  1
  Nb  Nb62  1  0.667555  0.529584  0.408762  1
  Nb  Nb63  1  0.972372  0.800071  0.485570  1
  Nb  Nb64  1  0.805135  0.465912  0.430035  1
  Nb  Nb65  1  0.588036  0.701080  0.476562  1
  Nb  Nb66  1  0.420808  0.366634  0.421040  1
  Nb  Nb67  1  0.957588  0.080271  0.433131  1
  Nb  Nb68  1  0.124766  0.414516  0.488801  1
  Nb  Nb69  1  0.597685  0.080260  0.433130  1
  Nb  Nb70  1  0.764755  0.414515  0.488802  1
  Nb  Nb71  1  0.134395  0.793792  0.445484  1
  Nb  Nb72  1  0.301523  0.128043  0.501012  1
  Nb  Nb73  1  0.514878  0.914482  0.405299  1
  Nb  Nb74  1  0.681738  0.248556  0.461175  1
  Nb  Nb75  1  0.874552  0.914463  0.405310  1
  Nb  Nb76  1  0.041826  0.248554  0.461177  1
  Nb  Nb77  1  0.337755  0.200610  0.393139  1
  Nb  Nb78  1  0.504951  0.534916  0.448998  1
  Nb  Nb79  1  0.218589  0.962180  0.473397  1
  Nb  Nb80  1  0.051000  0.627206  0.418174  1
  Nb  Nb81  1  0.036206  0.597402  0.553423  1
  Nb  Nb82  1  0.203240  0.931488  0.609098  1
  Nb  Nb83  1  0.383988  0.498635  0.502774  1
  Nb  Nb84  1  0.551033  0.832613  0.558395  1
  Nb  Nb85  1  0.589645  0.498630  0.502776  1
  Nb  Nb86  1  0.756582  0.832614  0.558394  1
  Nb  Nb87  1  0.104472  0.733938  0.507668  1
  Nb  Nb88  1  0.271587  0.068119  0.563210  1
  Nb  Nb89  1  0.837933  0.531461  0.575594  1
  Nb  Nb90  1  0.670957  0.197221  0.519997  1
  Nb  Nb91  1  0.673535  0.276477  0.577421  1
  Nb  Nb92  1  0.506331  0.942388  0.521645  1
  Nb  Nb93  1  0.634312  0.388968  0.539498  1
  Nb  Nb94  1  0.801984  0.723561  0.595151  1
  Nb  Nb95  1  0.636924  0.467676  0.596807  1
  Nb  Nb96  1  0.469762  0.134136  0.541218  1
  Nb  Nb97  1  0.077965  0.276476  0.577425  1
  Nb  Nb98  1  0.911061  0.942389  0.521646  1
  Nb  Nb99  1  0.229657  0.388967  0.539501  1
  Nb  Nb100  1  0.396577  0.723553  0.595148  1
  Nb  Nb101  1  0.168544  0.531452  0.575595  1
  Nb  Nb102  1  0.001266  0.197222  0.519997  1
  Nb  Nb103  1  0.305762  0.467660  0.596800  1
  Nb  Nb104  1  0.139377  0.134137  0.541217  1
  Nb  Nb105  1  0.922728  0.370453  0.587351  1
  Nb  Nb106  1  0.755007  0.035010  0.532208  1
  Nb  Nb107  1  0.291904  0.748691  0.544386  1
  Nb  Nb108  1  0.459182  0.082929  0.600122  1
  Nb  Nb109  1  0.931793  0.748695  0.544385  1
  Nb  Nb110  1  0.098791  0.082971  0.600105  1
  Nb  Nb111  1  0.468716  0.462429  0.556563  1
  Nb  Nb112  1  0.635884  0.796766  0.612433  1
  Nb  Nb113  1  0.848866  0.582751  0.516767  1
  Nb  Nb114  1  0.015990  0.917017  0.572446  1
  Nb  Nb115  1  0.208888  0.582752  0.516766  1
  Nb  Nb116  1  0.376035  0.917024  0.572446  1
  Nb  Nb117  1  0.672099  0.869203  0.504537  1
  Nb  Nb118  1  0.839278  0.203547  0.560092  1
  Nb  Nb119  1  0.552798  0.630595  0.584505  1
  Nb  Nb120  1  0.385625  0.296245  0.528985  1
  Nb  Nb121  1  0.371044  0.267194  0.664651  1
  Nb  Nb122  1  0.536886  0.598807  0.718856  1
  Nb  Nb123  1  0.718068  0.167602  0.613685  1
  Nb  Nb124  1  0.884800  0.502151  0.669936  1
  Nb  Nb125  1  0.924541  0.167620  0.613683  1
  Nb  Nb126  1  0.092359  0.502144  0.669938  1
  Nb  Nb127  1  0.438610  0.401397  0.618210  1
  Nb  Nb128  1  0.605705  0.736991  0.675393  1
  Nb  Nb129  1  0.164319  0.196701  0.687950  1
  Nb  Nb130  1  0.006238  0.866427  0.631354  1
  Nb  Nb131  1  0.008258  0.948546  0.687510  1
  Nb  Nb132  1  0.839341  0.610515  0.632907  1
  Nb  Nb133  1  0.968506  0.054481  0.651560  1
  Nb  Nb134  1  0.132841  0.396671  0.704064  1
  Nb  Nb135  1  0.988654  0.143403  0.704194  1
  Nb  Nb136  1  0.803893  0.802197  0.652506  1
  Nb  Nb137  1  0.415275  0.948505  0.687519  1
  Nb  Nb138  1  0.246168  0.610524  0.632908  1
  Nb  Nb139  1  0.560982  0.054489  0.651555  1
  Nb  Nb140  1  0.738911  0.396687  0.704060  1
  Nb  Nb141  1  0.507300  0.196418  0.687920  1
  Nb  Nb142  1  0.335178  0.866359  0.631346  1
  Nb  Nb143  1  0.629783  0.143434  0.704200  1
  Nb  Nb144  1  0.473283  0.802183  0.652508  1
  Nb  Nb145  1  0.258952  0.042899  0.695546  1
  Nb  Nb146  1  0.091187  0.707368  0.642839  1
  Nb  Nb147  1  0.624527  0.416680  0.656341  1
  Nb  Nb148  1  0.786342  0.745754  0.708740  1
  Nb  Nb149  1  0.266866  0.416920  0.656194  1
  Nb  Nb150  1  0.434400  0.745689  0.708747  1
  Nb  Nb151  1  0.802296  0.129587  0.667412  1
  Nb  Nb152  1  0.968738  0.462462  0.720862  1
  Nb  Nb153  1  0.183860  0.251885  0.628244  1
  Nb  Nb154  1  0.354907  0.585872  0.684374  1
  Nb  Nb155  1  0.543201  0.252008  0.628219  1
  Nb  Nb156  1  0.706214  0.586186  0.684311  1
  Nb  Nb157  1  0.007734  0.540454  0.615679  1
  Nb  Nb158  1  0.173250  0.871522  0.673324  1
  Nb  Nb159  1  0.890017  0.305005  0.696441  1
  Nb  Nb160  1  0.720447  0.965895  0.640306  1
  Al  Al161  1  0.903875  0.333158  0.308652  1
  Al  Al162  1  0.068144  0.661549  0.363850  1
  Al  Al163  1  0.327914  0.180854  0.284441  1
  Al  Al164  1  0.485402  0.495269  0.336126  1
  Al  Al165  1  0.105040  0.394555  0.287987  1
  Al  Al166  1  0.266226  0.727294  0.342020  1
  Al  Al167  1  0.362724  0.049842  0.318380  1
  Al  Al168  1  0.529142  0.386908  0.373868  1
  Al  Al169  1  0.607778  0.939848  0.354656  1
  Al  Al170  1  0.438313  0.607614  0.300245  1
  Al  Al171  1  0.701211  0.268402  0.332668  1
  Al  Al172  1  0.870703  0.595959  0.385878  1
  Al  Al173  1  0.159888  0.050679  0.317996  1
  Al  Al174  1  0.333181  0.386709  0.373818  1
  Al  Al175  1  0.806922  0.939518  0.354659  1
  Al  Al176  1  0.646563  0.606433  0.300566  1
  Al  Al177  1  0.765249  0.391749  0.287164  1
  Al  Al178  1  0.936010  0.727553  0.342036  1
  Al  Al179  1  0.036856  0.265465  0.332198  1
  Al  Al180  1  0.198708  0.594788  0.385787  1
  Al  Al181  1  0.236347  0.997688  0.419389  1
  Al  Al182  1  0.403293  0.331588  0.474976  1
  Al  Al183  1  0.652951  0.830925  0.391555  1
  Al  Al184  1  0.819784  0.164566  0.447202  1
  Al  Al185  1  0.434103  0.063018  0.397285  1
  Al  Al186  1  0.601734  0.397409  0.452966  1
  Al  Al187  1  0.696833  0.720508  0.428281  1
  Al  Al188  1  0.863927  0.054563  0.483929  1
  Al  Al189  1  0.942488  0.608392  0.466018  1
  Al  Al190  1  0.775336  0.274333  0.410498  1
  Al  Al191  1  0.037910  0.931945  0.441407  1
  Al  Al192  1  0.204893  0.265587  0.497090  1
  Al  Al193  1  0.498582  0.720506  0.428256  1
  Al  Al194  1  0.665641  0.054568  0.483928  1
  Al  Al195  1  0.140906  0.608399  0.466018  1
  Al  Al196  1  0.973999  0.274308  0.410497  1
  Al  Al197  1  0.103930  0.063025  0.397283  1
  Al  Al198  1  0.270677  0.397411  0.452967  1
  Al  Al199  1  0.369016  0.931934  0.441382  1
  Al  Al200  1  0.535695  0.265589  0.497087  1
  Al  Al201  1  0.570350  0.665698  0.530596  1
  Al  Al202  1  0.737295  0.999586  0.586113  1
  Al  Al203  1  0.986816  0.498630  0.502780  1
  Al  Al204  1  0.153815  0.832624  0.558369  1
  Al  Al205  1  0.768732  0.731741  0.508458  1
  Al  Al206  1  0.935797  0.065400  0.564177  1
  Al  Al207  1  0.031156  0.388889  0.539552  1
  Al  Al208  1  0.198365  0.723057  0.595063  1
  Al  Al209  1  0.276870  0.276631  0.577210  1
  Al  Al210  1  0.109680  0.942714  0.521692  1
  Al  Al211  1  0.371831  0.599825  0.552567  1
  Al  Al212  1  0.539707  0.934468  0.608353  1
  Al  Al213  1  0.832737  0.388888  0.539551  1
  Al  Al214  1  0.999702  0.723078  0.595063  1
  Al  Al215  1  0.474842  0.276622  0.577226  1
  Al  Al216  1  0.308041  0.942717  0.521693  1
  Al  Al217  1  0.438010  0.731738  0.508457  1
  Al  Al218  1  0.604602  0.065399  0.564177  1
  Al  Al219  1  0.702996  0.599825  0.552565  1
  Al  Al220  1  0.869764  0.934463  0.608352  1
  Al  Al221  1  0.905656  0.336301  0.641568  1
  Al  Al222  1  0.065434  0.655857  0.695946  1
  Al  Al223  1  0.320818  0.166530  0.614003  1
  Al  Al224  1  0.488572  0.502276  0.669297  1
  Al  Al225  1  0.102506  0.401678  0.619878  1
  Al  Al226  1  0.270206  0.734075  0.673561  1
  Al  Al227  1  0.365782  0.057183  0.650577  1
  Al  Al228  1  0.538110  0.390397  0.704697  1
  Al  Al229  1  0.606455  0.944059  0.688014  1
  Al  Al230  1  0.444529  0.610290  0.631362  1
  Al  Al231  1  0.707708  0.269850  0.663541  1
  Al  Al232  1  0.860166  0.594921  0.716402  1
  Al  Al233  1  0.166586  0.057702  0.650569  1
  Al  Al234  1  0.327919  0.391765  0.705044  1
  Al  Al235  1  0.812573  0.944038  0.688004  1
  Al  Al236  1  0.640651  0.610280  0.631356  1
  Al  Al237  1  0.774173  0.401689  0.619884  1
  Al  Al238  1  0.938910  0.734097  0.673563  1
  Al  Al239  1  0.037136  0.269838  0.663541  1
  Al  Al240  1  0.209761  0.594947  0.716407  1
