# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97302131
_cell_length_b   20.56273902
_cell_length_c   53.34712376
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al
_chemical_formula_sum   'Nb200 Al100'
_cell_volume   10940.0352039
_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  0.117190  0.630248  0.282032  1
  Nb  Nb2  1  0.103840  0.159064  0.323569  1
  Nb  Nb3  1  0.397570  0.423134  0.346891  1
  Nb  Nb4  1  0.393828  0.894499  0.302629  1
  Nb  Nb5  1  0.601367  0.520602  0.336739  1
  Nb  Nb6  1  0.605272  0.996436  0.293317  1
  Nb  Nb7  1  0.895498  0.256679  0.314576  1
  Nb  Nb8  1  0.896325  0.785744  0.360116  1
  Nb  Nb9  1  0.039910  0.511560  0.292634  1
  Nb  Nb10  1  0.037524  0.034960  0.335200  1
  Nb  Nb11  1  0.133493  0.454881  0.343109  1
  Nb  Nb12  1  0.135744  0.924711  0.299820  1
  Nb  Nb13  1  0.868290  0.489927  0.339840  1
  Nb  Nb14  1  0.863512  0.960879  0.296379  1
  Nb  Nb15  1  0.962544  0.379016  0.302859  1
  Nb  Nb16  1  0.963202  0.910194  0.347623  1
  Nb  Nb17  1  0.537845  0.643505  0.324684  1
  Nb  Nb18  1  0.538497  0.107669  0.284160  1
  Nb  Nb19  1  0.463719  0.299077  0.358328  1
  Nb  Nb20  1  0.461346  0.771142  0.312308  1
  Nb  Nb21  1  0.342652  0.658145  0.279239  1
  Nb  Nb22  1  0.365869  0.189048  0.320498  1
  Nb  Nb23  1  0.637308  0.223842  0.316443  1
  Nb  Nb24  1  0.632569  0.754367  0.362411  1
  Nb  Nb25  1  0.321507  0.570633  0.355185  1
  Nb  Nb26  1  0.321638  0.041637  0.309654  1
  Nb  Nb27  1  0.180210  0.306054  0.332535  1
  Nb  Nb28  1  0.184050  0.777712  0.289745  1
  Nb  Nb29  1  0.823099  0.607902  0.304950  1
  Nb  Nb30  1  0.821482  0.137352  0.348566  1
  Nb  Nb31  1  0.692818  0.340943  0.284939  1
  Nb  Nb32  1  0.679842  0.872779  0.326909  1
  Nb  Nb33  1  0.816524  0.636350  0.349077  1
  Nb  Nb34  1  0.821540  0.108520  0.303660  1
  Nb  Nb35  1  0.174582  0.275936  0.289989  1
  Nb  Nb36  1  0.180760  0.807293  0.333012  1
  Nb  Nb37  1  0.322192  0.540616  0.309893  1
  Nb  Nb38  1  0.317403  0.072501  0.355511  1
  Nb  Nb39  1  0.678224  0.374140  0.326322  1
  Nb  Nb40  1  0.673183  0.849769  0.284733  1
  Nb  Nb41  1  0.102515  0.688968  0.369457  1
  Nb  Nb42  1  0.102752  0.218685  0.414838  1
  Nb  Nb43  1  0.397361  0.483536  0.437663  1
  Nb  Nb44  1  0.397093  0.953370  0.392533  1
  Nb  Nb45  1  0.602980  0.580442  0.428345  1
  Nb  Nb46  1  0.603508  0.050840  0.382942  1
  Nb  Nb47  1  0.897319  0.315452  0.405549  1
  Nb  Nb48  1  0.897184  0.845175  0.451132  1
  Nb  Nb49  1  0.037341  0.564566  0.381574  1
  Nb  Nb50  1  0.037464  0.094296  0.426919  1
  Nb  Nb51  1  0.132801  0.514417  0.434705  1
  Nb  Nb52  1  0.132444  0.985029  0.389103  1
  Nb  Nb53  1  0.867537  0.549431  0.431307  1
  Nb  Nb54  1  0.868014  0.019950  0.385726  1
  Nb  Nb55  1  0.963135  0.440029  0.393373  1
  Nb  Nb56  1  0.963019  0.969602  0.439059  1
  Nb  Nb57  1  0.537475  0.704606  0.416205  1
  Nb  Nb58  1  0.537366  0.175566  0.370490  1
  Nb  Nb59  1  0.462972  0.359038  0.449705  1
  Nb  Nb60  1  0.462852  0.829357  0.404145  1
  Nb  Nb61  1  0.369406  0.720237  0.366410  1
  Nb  Nb62  1  0.367514  0.249551  0.411864  1
  Nb  Nb63  1  0.632868  0.284493  0.408473  1
  Nb  Nb64  1  0.632586  0.814173  0.454100  1
  Nb  Nb65  1  0.320262  0.631189  0.447297  1
  Nb  Nb66  1  0.320655  0.101246  0.401553  1
  Nb  Nb67  1  0.180158  0.366418  0.424589  1
  Nb  Nb68  1  0.179623  0.836679  0.379037  1
  Nb  Nb69  1  0.820080  0.667509  0.395217  1
  Nb  Nb70  1  0.820199  0.197068  0.440923  1
  Nb  Nb71  1  0.680082  0.402359  0.372683  1
  Nb  Nb72  1  0.680264  0.932231  0.418330  1
  Nb  Nb73  1  0.819772  0.697162  0.441266  1
  Nb  Nb74  1  0.819981  0.167363  0.395596  1
  Nb  Nb75  1  0.180556  0.337140  0.379420  1
  Nb  Nb76  1  0.180105  0.866691  0.424891  1
  Nb  Nb77  1  0.319712  0.601875  0.401902  1
  Nb  Nb78  1  0.319878  0.131561  0.447618  1
  Nb  Nb79  1  0.680484  0.432525  0.418495  1
  Nb  Nb80  1  0.680392  0.902229  0.373444  1
  Nb  Nb81  1  0.103003  0.748285  0.460472  1
  Nb  Nb82  1  0.103064  0.277897  0.505960  1
  Nb  Nb83  1  0.397215  0.542678  0.528706  1
  Nb  Nb84  1  0.397166  0.013092  0.483233  1
  Nb  Nb85  1  0.603120  0.639553  0.519330  1
  Nb  Nb86  1  0.603076  0.109963  0.473860  1
  Nb  Nb87  1  0.897221  0.374741  0.496605  1
  Nb  Nb88  1  0.897280  0.904359  0.542091  1
  Nb  Nb89  1  0.037337  0.623848  0.472503  1
  Nb  Nb90  1  0.037348  0.153452  0.518005  1
  Nb  Nb91  1  0.132598  0.573609  0.525723  1
  Nb  Nb92  1  0.132669  0.044039  0.480218  1
  Nb  Nb93  1  0.867622  0.608601  0.522345  1
  Nb  Nb94  1  0.867692  0.079034  0.476842  1
  Nb  Nb95  1  0.962938  0.499186  0.484559  1
  Nb  Nb96  1  0.962952  0.028791  0.530062  1
  Nb  Nb97  1  0.537352  0.763993  0.507310  1
  Nb  Nb98  1  0.537343  0.234371  0.461796  1
  Nb  Nb99  1  0.462947  0.418270  0.540767  1
  Nb  Nb100  1  0.462939  0.888647  0.495256  1
  Nb  Nb101  1  0.367625  0.779194  0.457451  1
  Nb  Nb102  1  0.367669  0.308829  0.502975  1
  Nb  Nb103  1  0.632617  0.343809  0.499588  1
  Nb  Nb104  1  0.632671  0.873450  0.545120  1
  Nb  Nb105  1  0.320049  0.690477  0.538409  1
  Nb  Nb106  1  0.320112  0.160885  0.492905  1
  Nb  Nb107  1  0.180269  0.425740  0.515703  1
  Nb  Nb108  1  0.180168  0.896091  0.470170  1
  Nb  Nb109  1  0.820126  0.726708  0.486538  1
  Nb  Nb110  1  0.820043  0.256297  0.532060  1
  Nb  Nb111  1  0.680202  0.461914  0.463792  1
  Nb  Nb112  1  0.680289  0.991503  0.509355  1
  Nb  Nb113  1  0.820117  0.756550  0.532395  1
  Nb  Nb114  1  0.820006  0.226884  0.486853  1
  Nb  Nb115  1  0.180268  0.396342  0.470492  1
  Nb  Nb116  1  0.180167  0.925932  0.516028  1
  Nb  Nb117  1  0.319999  0.661136  0.493210  1
  Nb  Nb118  1  0.320077  0.190722  0.538766  1
  Nb  Nb119  1  0.680180  0.491751  0.509658  1
  Nb  Nb120  1  0.680235  0.962164  0.464155  1
  Nb  Nb121  1  0.103133  0.807465  0.551430  1
  Nb  Nb122  1  0.102986  0.337146  0.596987  1
  Nb  Nb123  1  0.396919  0.601768  0.619619  1
  Nb  Nb124  1  0.397307  0.072186  0.574218  1
  Nb  Nb125  1  0.603321  0.699319  0.609984  1
  Nb  Nb126  1  0.602944  0.169095  0.564901  1
  Nb  Nb127  1  0.897404  0.434014  0.587652  1
  Nb  Nb128  1  0.897797  0.963788  0.633054  1
  Nb  Nb129  1  0.037283  0.683052  0.563504  1
  Nb  Nb130  1  0.037060  0.212571  0.609183  1
  Nb  Nb131  1  0.132229  0.632752  0.616807  1
  Nb  Nb132  1  0.132735  0.103205  0.571251  1
  Nb  Nb133  1  0.867791  0.667633  0.613434  1
  Nb  Nb134  1  0.867469  0.138219  0.567863  1
  Nb  Nb135  1  0.962801  0.558353  0.575641  1
  Nb  Nb136  1  0.962867  0.088081  0.620983  1
  Nb  Nb137  1  0.537461  0.823277  0.598435  1
  Nb  Nb138  1  0.537307  0.293602  0.552854  1
  Nb  Nb139  1  0.463055  0.477103  0.632004  1
  Nb  Nb140  1  0.462832  0.948032  0.586361  1
  Nb  Nb141  1  0.367707  0.838468  0.548466  1
  Nb  Nb142  1  0.367416  0.368146  0.594066  1
  Nb  Nb143  1  0.632783  0.403101  0.590687  1
  Nb  Nb144  1  0.630917  0.932389  0.636171  1
  Nb  Nb145  1  0.319852  0.750405  0.629108  1
  Nb  Nb146  1  0.319872  0.220085  0.584047  1
  Nb  Nb147  1  0.180272  0.485283  0.606884  1
  Nb  Nb148  1  0.180525  0.955483  0.561298  1
  Nb  Nb149  1  0.820192  0.785954  0.577671  1
  Nb  Nb150  1  0.819625  0.315409  0.623026  1
  Nb  Nb151  1  0.680405  0.521087  0.554943  1
  Nb  Nb152  1  0.680544  0.050761  0.600656  1
  Nb  Nb153  1  0.820698  0.815994  0.623536  1
  Nb  Nb154  1  0.820087  0.286185  0.577937  1
  Nb  Nb155  1  0.180084  0.455576  0.561613  1
  Nb  Nb156  1  0.180353  0.985144  0.607345  1
  Nb  Nb157  1  0.320083  0.720427  0.584233  1
  Nb  Nb158  1  0.320019  0.250257  0.629789  1
  Nb  Nb159  1  0.679650  0.551410  0.601011  1
  Nb  Nb160  1  0.680028  0.021444  0.555268  1
  Nb  Nb161  1  0.104746  0.866831  0.642339  1
  Nb  Nb162  1  0.105780  0.395094  0.687645  1
  Nb  Nb163  1  0.396083  0.655570  0.709276  1
  Nb  Nb164  1  0.398110  0.131858  0.665672  1
  Nb  Nb165  1  0.606205  0.758318  0.699946  1
  Nb  Nb166  1  0.602395  0.229575  0.655655  1
  Nb  Nb167  1  0.897040  0.493377  0.679142  1
  Nb  Nb168  1  0.882728  0.022807  0.720444  1
  Nb  Nb169  1  0.037139  0.742495  0.654967  1
  Nb  Nb170  1  0.037342  0.272579  0.699414  1
  Nb  Nb171  1  0.135758  0.691371  0.706168  1
  Nb  Nb172  1  0.131963  0.162472  0.662655  1
  Nb  Nb173  1  0.865275  0.727405  0.702798  1
  Nb  Nb174  1  0.866242  0.197835  0.659598  1
  Nb  Nb175  1  0.962184  0.618049  0.667143  1
  Nb  Nb176  1  0.960015  0.141378  0.709926  1
  Nb  Nb177  1  0.538910  0.881477  0.690271  1
  Nb  Nb178  1  0.536408  0.353471  0.644147  1
  Nb  Nb179  1  0.462528  0.544740  0.718378  1
  Nb  Nb180  1  0.462368  0.009213  0.677907  1
  Nb  Nb181  1  0.367725  0.898288  0.640165  1
  Nb  Nb182  1  0.364542  0.428353  0.685755  1
  Nb  Nb183  1  0.633380  0.463659  0.681877  1
  Nb  Nb184  1  0.657358  0.994499  0.723351  1
  Nb  Nb185  1  0.327084  0.802738  0.717829  1
  Nb  Nb186  1  0.319245  0.278106  0.675980  1
  Nb  Nb187  1  0.179303  0.543999  0.698118  1
  Nb  Nb188  1  0.183232  0.016238  0.653488  1
  Nb  Nb189  1  0.819368  0.845225  0.669560  1
  Nb  Nb190  1  0.825690  0.376252  0.711714  1
  Nb  Nb191  1  0.683044  0.580174  0.647099  1
  Nb  Nb192  1  0.679336  0.111803  0.692628  1
  Nb  Nb193  1  0.815839  0.874921  0.712813  1
  Nb  Nb194  1  0.819763  0.345978  0.669701  1
  Nb  Nb195  1  0.179325  0.515186  0.653704  1
  Nb  Nb196  1  0.177011  0.044750  0.697620  1
  Nb  Nb197  1  0.320619  0.779883  0.675678  1
  Nb  Nb198  1  0.319901  0.309590  0.717450  1
  Nb  Nb199  1  0.678430  0.610940  0.692981  1
  Nb  Nb200  1  0.678667  0.081978  0.647355  1
  Al  Al201  1  0.497020  0.444030  0.299622  1
  Al  Al202  1  0.499855  0.973191  0.342079  1
  Al  Al203  1  0.999596  0.708499  0.319884  1
  Al  Al204  1  0.995018  0.186266  0.280480  1
  Al  Al205  1  0.565880  0.574826  0.287599  1
  Al  Al206  1  0.567445  0.097004  0.330525  1
  Al  Al207  1  0.266231  0.676175  0.324161  1
  Al  Al208  1  0.274471  0.147828  0.280744  1
  Al  Al209  1  0.736336  0.268480  0.361325  1
  Al  Al210  1  0.736220  0.737660  0.315764  1
  Al  Al211  1  0.434756  0.316219  0.309391  1
  Al  Al212  1  0.434235  0.848658  0.353794  1
  Al  Al213  1  0.068668  0.582843  0.332372  1
  Al  Al214  1  0.063712  0.051363  0.288645  1
  Al  Al215  1  0.934249  0.361511  0.352379  1
  Al  Al216  1  0.932274  0.832604  0.307439  1
  Al  Al217  1  0.228055  0.411136  0.301053  1
  Al  Al218  1  0.235859  0.941262  0.345305  1
  Al  Al219  1  0.770284  0.475866  0.295352  1
  Al  Al220  1  0.763993  0.004300  0.339294  1
  Al  Al221  1  0.499990  0.502555  0.387589  1
  Al  Al222  1  0.500207  0.031925  0.433157  1
  Al  Al223  1  0.999940  0.767188  0.410441  1
  Al  Al224  1  0.000509  0.237514  0.364555  1
  Al  Al225  1  0.565414  0.626415  0.375179  1
  Al  Al226  1  0.566004  0.156327  0.420944  1
  Al  Al227  1  0.264520  0.736015  0.413210  1
  Al  Al228  1  0.264420  0.206550  0.367438  1
  Al  Al229  1  0.735484  0.327909  0.452756  1
  Al  Al230  1  0.735147  0.798228  0.407326  1
  Al  Al231  1  0.434728  0.377861  0.399402  1
  Al  Al232  1  0.433815  0.907419  0.445085  1
  Al  Al233  1  0.066036  0.642566  0.422341  1
  Al  Al234  1  0.066284  0.113066  0.376550  1
  Al  Al235  1  0.933944  0.421211  0.443725  1
  Al  Al236  1  0.933891  0.891625  0.398245  1
  Al  Al237  1  0.235619  0.471199  0.390466  1
  Al  Al238  1  0.235508  0.000761  0.436034  1
  Al  Al239  1  0.764730  0.533412  0.384390  1
  Al  Al240  1  0.764854  0.063117  0.430057  1
  Al  Al241  1  0.500138  0.561534  0.478557  1
  Al  Al242  1  0.500149  0.091105  0.524010  1
  Al  Al243  1  0.000144  0.826319  0.501283  1
  Al  Al244  1  1.000140  0.296711  0.455828  1
  Al  Al245  1  0.566419  0.686060  0.466502  1
  Al  Al246  1  0.566362  0.215635  0.512023  1
  Al  Al247  1  0.264897  0.795120  0.504298  1
  Al  Al248  1  0.264812  0.265537  0.458787  1
  Al  Al249  1  0.735449  0.387109  0.543766  1
  Al  Al250  1  0.735395  0.857519  0.498271  1
  Al  Al251  1  0.433933  0.437004  0.490545  1
  Al  Al252  1  0.433868  0.966576  0.536062  1
  Al  Al253  1  0.066426  0.701780  0.513328  1
  Al  Al254  1  0.066410  0.172203  0.467809  1
  Al  Al255  1  0.933856  0.480441  0.534746  1
  Al  Al256  1  0.933861  0.950861  0.489238  1
  Al  Al257  1  0.235437  0.530344  0.481546  1
  Al  Al258  1  0.235439  0.059914  0.527045  1
  Al  Al259  1  0.764851  0.592727  0.475521  1
  Al  Al260  1  0.764852  0.122293  0.521019  1
  Al  Al261  1  0.500094  0.620714  0.569406  1
  Al  Al262  1  0.500264  0.150089  0.614964  1
  Al  Al263  1  0.000381  0.885460  0.592120  1
  Al  Al264  1  0.000147  0.355930  0.546736  1
  Al  Al265  1  0.566469  0.745229  0.557475  1
  Al  Al266  1  0.565563  0.274780  0.603146  1
  Al  Al267  1  0.265158  0.854412  0.595232  1
  Al  Al268  1  0.264812  0.324733  0.549806  1
  Al  Al269  1  0.735981  0.446073  0.635120  1
  Al  Al270  1  0.735892  0.916574  0.589407  1
  Al  Al271  1  0.434323  0.496327  0.581626  1
  Al  Al272  1  0.434870  0.026216  0.627383  1
  Al  Al273  1  0.066344  0.761051  0.604334  1
  Al  Al274  1  0.066316  0.231433  0.558844  1
  Al  Al275  1  0.933937  0.539466  0.626037  1
  Al  Al276  1  0.934259  0.010079  0.580212  1
  Al  Al277  1  0.235445  0.589544  0.572511  1
  Al  Al278  1  0.235454  0.119167  0.618138  1
  Al  Al279  1  0.764820  0.651902  0.566510  1
  Al  Al280  1  0.764608  0.181376  0.612140  1
  Al  Al281  1  0.500512  0.679418  0.660496  1
  Al  Al282  1  0.502959  0.207995  0.702876  1
  Al  Al283  1  0.000723  0.943973  0.682640  1
  Al  Al284  1  0.999769  0.415000  0.637791  1
  Al  Al285  1  0.565671  0.803947  0.648875  1
  Al  Al286  1  0.565575  0.336060  0.693039  1
  Al  Al287  1  0.263697  0.915117  0.686844  1
  Al  Al288  1  0.263866  0.384027  0.641128  1
  Al  Al289  1  0.726417  0.504552  0.721030  1
  Al  Al290  1  0.733494  0.976897  0.678498  1
  Al  Al291  1  0.433289  0.555695  0.672026  1
  Al  Al292  1  0.433546  0.077976  0.714930  1
  Al  Al293  1  0.066857  0.820156  0.695186  1
  Al  Al294  1  0.066022  0.291072  0.650062  1
  Al  Al295  1  0.937852  0.600660  0.713344  1
  Al  Al296  1  0.932044  0.069608  0.670139  1
  Al  Al297  1  0.236369  0.648409  0.663213  1
  Al  Al298  1  0.229448  0.177337  0.707210  1
  Al  Al299  1  0.764562  0.711523  0.657180  1
  Al  Al300  1  0.767948  0.241956  0.702320  1
