# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.30485644
_cell_length_b   11.15986544
_cell_length_c   48.01230092
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.43921151
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al
_chemical_formula_sum   'Nb200 Al100'
_cell_volume   10954.8909118
_cell_formula_units_Z   100
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  0.401897  0.102955  0.291194  1
  Nb  Nb2  1  0.875937  0.722365  0.332295  1
  Nb  Nb3  1  0.537564  0.494420  0.301795  1
  Nb  Nb4  1  0.016084  0.109884  0.345898  1
  Nb  Nb5  1  0.650399  0.565241  0.294094  1
  Nb  Nb6  1  0.123946  0.188589  0.336219  1
  Nb  Nb7  1  0.788946  0.955803  0.304330  1
  Nb  Nb8  1  0.264324  0.576690  0.350082  1
  Nb  Nb9  1  0.358698  0.929419  0.308233  1
  Nb  Nb10  1  0.832096  0.545327  0.353241  1
  Nb  Nb11  1  0.422085  0.634554  0.286693  1
  Nb  Nb12  1  0.893988  0.259122  0.327754  1
  Nb  Nb13  1  0.765326  0.422127  0.308913  1
  Nb  Nb14  1  0.247064  0.037230  0.354142  1
  Nb  Nb15  1  0.831431  0.124120  0.287609  1
  Nb  Nb16  1  0.308254  0.750402  0.328534  1
  Nb  Nb17  1  0.581777  0.033956  0.354991  1
  Nb  Nb18  1  0.106031  0.415082  0.308700  1
  Nb  Nb19  1  0.559387  0.263392  0.326454  1
  Nb  Nb20  1  0.082881  0.641023  0.286856  1
  Nb  Nb21  1  0.524328  0.056859  0.295219  1
  Nb  Nb22  1  0.005315  0.670786  0.338197  1
  Nb  Nb23  1  0.659676  0.008857  0.300730  1
  Nb  Nb24  1  0.135655  0.625616  0.343356  1
  Nb  Nb25  1  0.503889  0.793882  0.295070  1
  Nb  Nb26  1  0.982126  0.410597  0.338332  1
  Nb  Nb27  1  0.438204  0.351450  0.289269  1
  Nb  Nb28  1  0.914463  0.965250  0.332039  1
  Nb  Nb29  1  0.727226  0.827875  0.348163  1
  Nb  Nb30  1  0.249773  0.212226  0.304504  1
  Nb  Nb31  1  0.659042  0.381910  0.342204  1
  Nb  Nb32  1  0.181472  0.768320  0.299126  1
  Nb  Nb33  1  0.752111  0.710820  0.304319  1
  Nb  Nb34  1  0.225475  0.326630  0.348705  1
  Nb  Nb35  1  0.415616  0.465750  0.332473  1
  Nb  Nb36  1  0.935879  0.849197  0.288843  1
  Nb  Nb37  1  0.481291  0.912865  0.338715  1
  Nb  Nb38  1  0.006630  0.294634  0.295682  1
  Nb  Nb39  1  0.683743  0.265484  0.298441  1
  Nb  Nb40  1  0.160257  0.880999  0.342395  1
  Nb  Nb41  1  0.351858  0.341226  0.378937  1
  Nb  Nb42  1  0.828221  0.961430  0.424009  1
  Nb  Nb43  1  0.492296  0.730798  0.391613  1
  Nb  Nb44  1  0.968348  0.350075  0.437143  1
  Nb  Nb45  1  0.600344  0.807352  0.382460  1
  Nb  Nb46  1  0.076093  0.428581  0.427894  1
  Nb  Nb47  1  0.740111  0.196705  0.395824  1
  Nb  Nb48  1  0.216198  0.816477  0.441334  1
  Nb  Nb49  1  0.308025  0.165713  0.399471  1
  Nb  Nb50  1  0.784344  0.785371  0.444902  1
  Nb  Nb51  1  0.369150  0.880716  0.373483  1
  Nb  Nb52  1  0.845501  0.500642  0.419118  1
  Nb  Nb53  1  0.723086  0.657894  0.400323  1
  Nb  Nb54  1  0.198968  0.277437  0.445876  1
  Nb  Nb55  1  0.784336  0.372893  0.374423  1
  Nb  Nb56  1  0.260128  0.992614  0.420082  1
  Nb  Nb57  1  0.533547  0.274275  0.446307  1
  Nb  Nb58  1  0.057563  0.654308  0.400637  1
  Nb  Nb59  1  0.510864  0.503878  0.419032  1
  Nb  Nb60  1  0.034838  0.883698  0.373331  1
  Nb  Nb61  1  0.481535  0.290951  0.384343  1
  Nb  Nb62  1  0.957451  0.911220  0.429883  1
  Nb  Nb63  1  0.610885  0.247196  0.389547  1
  Nb  Nb64  1  0.087043  0.867031  0.435209  1
  Nb  Nb65  1  0.457423  0.033380  0.385058  1
  Nb  Nb66  1  0.933383  0.653454  0.430509  1
  Nb  Nb67  1  0.390435  0.587436  0.378575  1
  Nb  Nb68  1  0.866662  0.206833  0.424151  1
  Nb  Nb69  1  0.678076  0.069825  0.440533  1
  Nb  Nb70  1  0.202027  0.449698  0.394839  1
  Nb  Nb71  1  0.611539  0.623277  0.434165  1
  Nb  Nb72  1  0.135513  0.003123  0.388473  1
  Nb  Nb73  1  0.701644  0.950516  0.395389  1
  Nb  Nb74  1  0.177658  0.570961  0.440803  1
  Nb  Nb75  1  0.366502  0.707768  0.424395  1
  Nb  Nb76  1  0.890744  0.088468  0.378981  1
  Nb  Nb77  1  0.433169  0.154461  0.430849  1
  Nb  Nb78  1  0.956878  0.535549  0.385177  1
  Nb  Nb79  1  0.635333  0.503567  0.389146  1
  Nb  Nb80  1  0.111347  0.124272  0.434374  1
  Nb  Nb81  1  0.304256  0.581478  0.469268  1
  Nb  Nb82  1  0.780416  0.201040  0.514859  1
  Nb  Nb83  1  0.444385  0.969548  0.482753  1
  Nb  Nb84  1  0.920451  0.589268  0.528232  1
  Nb  Nb85  1  0.552230  0.047750  0.473421  1
  Nb  Nb86  1  0.028298  0.667486  0.518892  1
  Nb  Nb87  1  0.692269  0.435980  0.486794  1
  Nb  Nb88  1  0.168423  0.055544  0.532380  1
  Nb  Nb89  1  0.260374  0.405104  0.490430  1
  Nb  Nb90  1  0.736417  0.024839  0.535943  1
  Nb  Nb91  1  0.321546  0.120259  0.464748  1
  Nb  Nb92  1  0.797590  0.739919  0.510222  1
  Nb  Nb93  1  0.675093  0.897104  0.491426  1
  Nb  Nb94  1  0.151137  0.516757  0.536902  1
  Nb  Nb95  1  0.736268  0.612184  0.465705  1
  Nb  Nb96  1  0.212306  0.231919  0.511221  1
  Nb  Nb97  1  0.485671  0.513524  0.537381  1
  Nb  Nb98  1  0.009649  0.893836  0.491823  1
  Nb  Nb99  1  0.463031  0.743184  0.509827  1
  Nb  Nb100  1  0.987009  0.123494  0.464259  1
  Nb  Nb101  1  0.433444  0.530769  0.475439  1
  Nb  Nb102  1  0.909544  0.150467  0.520896  1
  Nb  Nb103  1  0.563138  0.486558  0.480753  1
  Nb  Nb104  1  0.039236  0.106257  0.526211  1
  Nb  Nb105  1  0.409330  0.273451  0.476101  1
  Nb  Nb106  1  0.885401  0.893256  0.521584  1
  Nb  Nb107  1  0.342709  0.826704  0.469712  1
  Nb  Nb108  1  0.818813  0.446390  0.515235  1
  Nb  Nb109  1  0.630096  0.309398  0.531606  1
  Nb  Nb110  1  0.154064  0.689757  0.486096  1
  Nb  Nb111  1  0.563527  0.862643  0.525242  1
  Nb  Nb112  1  0.087479  0.242976  0.479718  1
  Nb  Nb113  1  0.653869  0.190613  0.486413  1
  Nb  Nb114  1  0.129971  0.810318  0.531937  1
  Nb  Nb115  1  0.318617  0.947266  0.515555  1
  Nb  Nb116  1  0.842591  0.327619  0.470042  1
  Nb  Nb117  1  0.385203  0.394041  0.521933  1
  Nb  Nb118  1  0.909150  0.774397  0.476406  1
  Nb  Nb119  1  0.587276  0.743770  0.480066  1
  Nb  Nb120  1  0.063350  0.363572  0.525549  1
  Nb  Nb121  1  0.256485  0.820545  0.560316  1
  Nb  Nb122  1  0.732586  0.440217  0.605815  1
  Nb  Nb123  1  0.396599  0.208477  0.573763  1
  Nb  Nb124  1  0.872399  0.829646  0.619206  1
  Nb  Nb125  1  0.504298  0.286965  0.564522  1
  Nb  Nb126  1  0.980534  0.906304  0.609898  1
  Nb  Nb127  1  0.644406  0.675578  0.577580  1
  Nb  Nb128  1  0.120767  0.295781  0.622697  1
  Nb  Nb129  1  0.212559  0.644395  0.581568  1
  Nb  Nb130  1  0.688338  0.264188  0.627216  1
  Nb  Nb131  1  0.273712  0.359582  0.555774  1
  Nb  Nb132  1  0.749586  0.979163  0.601292  1
  Nb  Nb133  1  0.627168  0.136422  0.582512  1
  Nb  Nb134  1  0.103550  0.756290  0.628173  1
  Nb  Nb135  1  0.688338  0.851652  0.556740  1
  Nb  Nb136  1  0.164651  0.471303  0.602181  1
  Nb  Nb137  1  0.437815  0.753300  0.628247  1
  Nb  Nb138  1  0.961802  0.133152  0.582623  1
  Nb  Nb139  1  0.415080  0.982757  0.601002  1
  Nb  Nb140  1  0.939133  0.362755  0.555345  1
  Nb  Nb141  1  0.385636  0.769985  0.566438  1
  Nb  Nb142  1  0.861788  0.389744  0.612105  1
  Nb  Nb143  1  0.515230  0.725806  0.571752  1
  Nb  Nb144  1  0.991151  0.346058  0.617305  1
  Nb  Nb145  1  0.361332  0.512756  0.567277  1
  Nb  Nb146  1  0.837288  0.132840  0.612615  1
  Nb  Nb147  1  0.295019  0.066079  0.560847  1
  Nb  Nb148  1  0.771083  0.686393  0.606186  1
  Nb  Nb149  1  0.581904  0.548437  0.622621  1
  Nb  Nb150  1  0.106187  0.929245  0.577250  1
  Nb  Nb151  1  0.515791  0.101506  0.616469  1
  Nb  Nb152  1  0.039517  0.482562  0.570799  1
  Nb  Nb153  1  0.606012  0.430158  0.577485  1
  Nb  Nb154  1  0.082238  0.049604  0.623073  1
  Nb  Nb155  1  0.270651  0.187323  0.606817  1
  Nb  Nb156  1  0.794620  0.567155  0.561103  1
  Nb  Nb157  1  0.337149  0.633979  0.613159  1
  Nb  Nb158  1  0.861174  0.013799  0.567483  1
  Nb  Nb159  1  0.539300  0.983548  0.571130  1
  Nb  Nb160  1  0.015267  0.603652  0.616590  1
  Nb  Nb161  1  0.208393  0.060294  0.651562  1
  Nb  Nb162  1  0.684652  0.677463  0.696854  1
  Nb  Nb163  1  0.348732  0.449349  0.665499  1
  Nb  Nb164  1  0.822385  0.071565  0.707549  1
  Nb  Nb165  1  0.456004  0.527929  0.655910  1
  Nb  Nb166  1  0.935164  0.143078  0.699922  1
  Nb  Nb167  1  0.596600  0.914604  0.669097  1
  Nb  Nb168  1  0.069806  0.534198  0.710219  1
  Nb  Nb169  1  0.164346  0.886837  0.673096  1
  Nb  Nb170  1  0.641697  0.511220  0.713846  1
  Nb  Nb171  1  0.225617  0.599722  0.647479  1
  Nb  Nb172  1  0.706870  0.214433  0.692743  1
  Nb  Nb173  1  0.578903  0.376574  0.674020  1
  Nb  Nb174  1  0.050662  0.002563  0.714948  1
  Nb  Nb175  1  0.640430  0.092253  0.648219  1
  Nb  Nb176  1  0.113927  0.707707  0.693404  1
  Nb  Nb177  1  0.390370  0.996506  0.714751  1
  Nb  Nb178  1  0.913318  0.373480  0.675182  1
  Nb  Nb179  1  0.367213  0.220897  0.693055  1
  Nb  Nb180  1  0.890972  0.602942  0.646622  1
  Nb  Nb181  1  0.336833  0.011768  0.658274  1
  Nb  Nb182  1  0.813603  0.626770  0.700745  1
  Nb  Nb183  1  0.467091  0.966717  0.663251  1
  Nb  Nb184  1  0.948447  0.580018  0.706471  1
  Nb  Nb185  1  0.312268  0.756346  0.659222  1
  Nb  Nb186  1  0.788982  0.371288  0.703214  1
  Nb  Nb187  1  0.247255  0.310625  0.652957  1
  Nb  Nb188  1  0.721734  0.925520  0.696378  1
  Nb  Nb189  1  0.536114  0.785515  0.712046  1
  Nb  Nb190  1  0.057076  0.171189  0.669183  1
  Nb  Nb191  1  0.465079  0.344919  0.705771  1
  Nb  Nb192  1  0.991528  0.724099  0.662903  1
  Nb  Nb193  1  0.558161  0.670824  0.669331  1
  Nb  Nb194  1  0.034225  0.285832  0.712369  1
  Nb  Nb195  1  0.222944  0.424954  0.697117  1
  Nb  Nb196  1  0.745714  0.808668  0.653216  1
  Nb  Nb197  1  0.291101  0.868941  0.702539  1
  Nb  Nb198  1  0.813581  0.254166  0.659505  1
  Nb  Nb199  1  0.490465  0.226697  0.663336  1
  Nb  Nb200  1  0.968888  0.843226  0.706603  1
  Al  Al201  1  0.569902  0.648467  0.341956  1
  Al  Al202  1  0.091979  0.036760  0.298645  1
  Al  Al203  1  0.332292  0.340368  0.319922  1
  Al  Al204  1  0.854888  0.730322  0.279394  1
  Al  Al205  1  0.615641  0.824224  0.320667  1
  Al  Al206  1  0.137660  0.213447  0.280483  1
  Al  Al207  1  0.455026  0.187380  0.337637  1
  Al  Al208  1  0.981588  0.569611  0.292567  1
  Al  Al209  1  0.685562  0.110591  0.346383  1
  Al  Al210  1  0.208969  0.489963  0.301373  1
  Al  Al211  1  0.523566  0.475028  0.363979  1
  Al  Al212  1  0.049071  0.853554  0.318028  1
  Al  Al213  1  0.351170  0.112929  0.346562  1
  Al  Al214  1  0.874542  0.491923  0.302375  1
  Al  Al215  1  0.789274  0.185780  0.337460  1
  Al  Al216  1  0.313692  0.567035  0.292578  1
  Al  Al217  1  0.440747  0.699175  0.335949  1
  Al  Al218  1  0.962589  0.082308  0.292078  1
  Al  Al219  1  0.699522  0.597897  0.347586  1
  Al  Al220  1  0.225176  0.980116  0.303707  1
  Al  Al221  1  0.522274  0.889019  0.432656  1
  Al  Al222  1  0.046054  0.269928  0.386980  1
  Al  Al223  1  0.284108  0.579568  0.409937  1
  Al  Al224  1  0.808232  0.959465  0.363955  1
  Al  Al225  1  0.566591  0.065291  0.411657  1
  Al  Al226  1  0.090017  0.445108  0.365713  1
  Al  Al227  1  0.406847  0.428207  0.427767  1
  Al  Al228  1  0.930770  0.808452  0.382260  1
  Al  Al229  1  0.637496  0.349838  0.437306  1
  Al  Al230  1  0.161273  0.730407  0.391738  1
  Al  Al231  1  0.478032  0.712828  0.453690  1
  Al  Al232  1  0.002478  0.093266  0.407693  1
  Al  Al233  1  0.302748  0.352948  0.436697  1
  Al  Al234  1  0.827268  0.733165  0.391075  1
  Al  Al235  1  0.741543  0.425045  0.428270  1
  Al  Al236  1  0.265502  0.804929  0.382613  1
  Al  Al237  1  0.393215  0.939177  0.426531  1
  Al  Al238  1  0.917397  0.319868  0.380777  1
  Al  Al239  1  0.651435  0.838472  0.438644  1
  Al  Al240  1  0.175046  0.218877  0.392718  1
  Al  Al241  1  0.474387  0.128298  0.523559  1
  Al  Al242  1  0.998294  0.508725  0.478094  1
  Al  Al243  1  0.236341  0.818511  0.500826  1
  Al  Al244  1  0.760246  0.198868  0.455385  1
  Al  Al245  1  0.518483  0.304532  0.502574  1
  Al  Al246  1  0.042543  0.684830  0.457060  1
  Al  Al247  1  0.359159  0.667386  0.518867  1
  Al  Al248  1  0.883057  0.047829  0.473367  1
  Al  Al249  1  0.589624  0.589190  0.528279  1
  Al  Al250  1  0.113522  0.969638  0.482785  1
  Al  Al251  1  0.430129  0.952188  0.544589  1
  Al  Al252  1  0.954196  0.332506  0.499074  1
  Al  Al253  1  0.255225  0.591974  0.527866  1
  Al  Al254  1  0.779166  0.972383  0.482378  1
  Al  Al255  1  0.693520  0.664637  0.519272  1
  Al  Al256  1  0.217457  0.045048  0.473785  1
  Al  Al257  1  0.345245  0.178695  0.517581  1
  Al  Al258  1  0.869172  0.558947  0.472086  1
  Al  Al259  1  0.603513  0.078076  0.529562  1
  Al  Al260  1  0.127429  0.458329  0.484065  1
  Al  Al261  1  0.426599  0.367205  0.614691  1
  Al  Al262  1  0.950407  0.748006  0.568993  1
  Al  Al263  1  0.188576  0.057448  0.591714  1
  Al  Al264  1  0.712431  0.438155  0.546266  1
  Al  Al265  1  0.470291  0.543718  0.593927  1
  Al  Al266  1  0.994654  0.924192  0.547954  1
  Al  Al267  1  0.311399  0.906673  0.609913  1
  Al  Al268  1  0.835181  0.287197  0.564349  1
  Al  Al269  1  0.541943  0.828592  0.619293  1
  Al  Al270  1  0.065833  0.208802  0.573890  1
  Al  Al271  1  0.382615  0.192052  0.635964  1
  Al  Al272  1  0.906136  0.571806  0.590017  1
  Al  Al273  1  0.207187  0.832071  0.619032  1
  Al  Al274  1  0.731149  0.211947  0.573380  1
  Al  Al275  1  0.645364  0.903767  0.610536  1
  Al  Al276  1  0.169935  0.284075  0.564952  1
  Al  Al277  1  0.297574  0.417952  0.608915  1
  Al  Al278  1  0.821253  0.798559  0.563005  1
  Al  Al279  1  0.555261  0.317253  0.620891  1
  Al  Al280  1  0.079489  0.697845  0.575102  1
  Al  Al281  1  0.380289  0.600589  0.703075  1
  Al  Al282  1  0.902826  0.988507  0.659703  1
  Al  Al283  1  0.140340  0.296523  0.681732  1
  Al  Al284  1  0.664517  0.677085  0.637485  1
  Al  Al285  1  0.422784  0.785844  0.683337  1
  Al  Al286  1  0.949157  0.162015  0.637672  1
  Al  Al287  1  0.263431  0.148323  0.700362  1
  Al  Al288  1  0.787089  0.526386  0.655197  1
  Al  Al289  1  0.492536  0.064592  0.708726  1
  Al  Al290  1  0.017708  0.449649  0.663996  1
  Al  Al291  1  0.334913  0.423787  0.721151  1
  Al  Al292  1  0.858219  0.811331  0.681061  1
  Al  Al293  1  0.159101  0.070059  0.709070  1
  Al  Al294  1  0.683458  0.451134  0.664119  1
  Al  Al295  1  0.598754  0.141350  0.698958  1
  Al  Al296  1  0.121496  0.524054  0.655109  1
  Al  Al297  1  0.246474  0.659181  0.697759  1
  Al  Al298  1  0.773392  0.039458  0.654010  1
  Al  Al299  1  0.509917  0.554619  0.709554  1
  Al  Al300  1  0.032057  0.937648  0.665714  1
