# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.00275001
_cell_length_b   31.54641499
_cell_length_c   56.78424721
_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   'Nb180 Al90'
_cell_volume   8961.62333872
_cell_formula_units_Z   90
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  0.500253  0.428190  0.340085  1
  Nb  Nb2  1  0.500253  0.128622  0.284532  1
  Nb  Nb3  1  0.500253  0.728323  0.395629  1
  Nb  Nb4  1  0.000253  0.290059  0.407062  1
  Nb  Nb5  1  0.000253  0.990095  0.351460  1
  Nb  Nb6  1  0.000253  0.689837  0.295753  1
  Nb  Nb7  1  1.000253  0.309010  0.266243  1
  Nb  Nb8  1  1.000253  0.907704  0.374341  1
  Nb  Nb9  1  0.000253  0.608004  0.318770  1
  Nb  Nb10  1  0.500253  0.168576  0.330948  1
  Nb  Nb11  1  0.500253  0.868637  0.275620  1
  Nb  Nb12  1  0.500253  0.469340  0.385747  1
  Nb  Nb13  1  0.500253  0.474992  0.298320  1
  Nb  Nb14  1  0.500253  0.074528  0.410739  1
  Nb  Nb15  1  0.500253  0.774536  0.355162  1
  Nb  Nb16  1  0.000253  0.464470  0.267174  1
  Nb  Nb17  1  0.000253  0.062859  0.377170  1
  Nb  Nb18  1  0.000253  0.762416  0.321197  1
  Nb  Nb19  1  0.000253  0.134878  0.404268  1
  Nb  Nb20  1  1.000253  0.834877  0.348699  1
  Nb  Nb21  1  1.000253  0.533899  0.291675  1
  Nb  Nb22  1  0.500253  0.123214  0.370755  1
  Nb  Nb23  1  0.500253  0.823644  0.314365  1
  Nb  Nb24  1  0.500253  0.521983  0.261761  1
  Nb  Nb25  1  1.000253  0.301256  0.309619  1
  Nb  Nb26  1  0.000253  0.000729  0.259254  1
  Nb  Nb27  1  0.000253  0.600940  0.366625  1
  Nb  Nb28  1  0.000253  0.296785  0.359286  1
  Nb  Nb29  1  0.000253  0.996921  0.302033  1
  Nb  Nb30  1  1.000253  0.596766  0.414842  1
  Nb  Nb31  1  0.500253  0.342337  0.336148  1
  Nb  Nb32  1  0.500253  0.041408  0.280636  1
  Nb  Nb33  1  0.500253  0.642311  0.391961  1
  Nb  Nb34  1  0.500253  0.255368  0.333757  1
  Nb  Nb35  1  0.500253  0.956616  0.278248  1
  Nb  Nb36  1  0.500253  0.555454  0.389547  1
  Nb  Nb37  1  0.748998  0.384701  0.291102  1
  Nb  Nb38  1  0.751937  0.984934  0.402911  1
  Nb  Nb39  1  0.752833  0.684768  0.347539  1
  Nb  Nb40  1  0.251933  0.376858  0.382916  1
  Nb  Nb41  1  0.252644  0.077040  0.327280  1
  Nb  Nb42  1  0.249152  0.777147  0.272237  1
  Nb  Nb43  1  0.251831  0.220452  0.287172  1
  Nb  Nb44  1  0.251927  0.820892  0.398499  1
  Nb  Nb45  1  0.251748  0.520873  0.342872  1
  Nb  Nb46  1  0.751965  0.212924  0.378512  1
  Nb  Nb47  1  0.751407  0.913020  0.322801  1
  Nb  Nb48  1  0.760986  0.613158  0.267950  1
  Nb  Nb49  1  0.748675  0.220452  0.287172  1
  Nb  Nb50  1  0.748579  0.820892  0.398499  1
  Nb  Nb51  1  0.748757  0.520873  0.342872  1
  Nb  Nb52  1  0.748572  0.376858  0.382916  1
  Nb  Nb53  1  0.747861  0.077040  0.327280  1
  Nb  Nb54  1  0.751353  0.777147  0.272237  1
  Nb  Nb55  1  0.251507  0.384701  0.291102  1
  Nb  Nb56  1  0.248568  0.984934  0.402911  1
  Nb  Nb57  1  0.247673  0.684768  0.347539  1
  Nb  Nb58  1  0.248540  0.212924  0.378512  1
  Nb  Nb59  1  0.249098  0.913020  0.322801  1
  Nb  Nb60  1  0.239520  0.613158  0.267950  1
  Nb  Nb61  1  0.500253  0.328306  0.506752  1
  Nb  Nb62  1  0.500253  0.028301  0.451193  1
  Nb  Nb63  1  0.500253  0.628286  0.562310  1
  Nb  Nb64  1  1.000253  0.190049  0.573740  1
  Nb  Nb65  1  0.000253  0.890070  0.518187  1
  Nb  Nb66  1  0.000253  0.590068  0.462630  1
  Nb  Nb67  1  1.000253  0.207733  0.429955  1
  Nb  Nb68  1  1.000253  0.807713  0.541065  1
  Nb  Nb69  1  0.000253  0.507712  0.485508  1
  Nb  Nb70  1  0.500253  0.069476  0.496944  1
  Nb  Nb71  1  0.500253  0.769495  0.441385  1
  Nb  Nb72  1  0.500253  0.369481  0.552502  1
  Nb  Nb73  1  0.500253  0.374546  0.466287  1
  Nb  Nb74  1  0.500253  0.974545  0.577404  1
  Nb  Nb75  1  0.500253  0.674545  0.521842  1
  Nb  Nb76  1  1.000253  0.362911  0.432761  1
  Nb  Nb77  1  0.000253  0.962902  0.543884  1
  Nb  Nb78  1  0.000253  0.662901  0.488323  1
  Nb  Nb79  1  1.000253  0.034870  0.570935  1
  Nb  Nb80  1  0.000253  0.734880  0.515373  1
  Nb  Nb81  1  0.000253  0.434879  0.459813  1
  Nb  Nb82  1  0.500253  0.023236  0.537408  1
  Nb  Nb83  1  0.500253  0.723237  0.481853  1
  Nb  Nb84  1  0.500253  0.423236  0.426291  1
  Nb  Nb85  1  0.000253  0.201008  0.477737  1
  Nb  Nb86  1  0.000253  0.901018  0.422174  1
  Nb  Nb87  1  1.000253  0.501007  0.533291  1
  Nb  Nb88  1  1.000253  0.196773  0.525958  1
  Nb  Nb89  1  1.000253  0.896774  0.470404  1
  Nb  Nb90  1  0.000253  0.496765  0.581521  1
  Nb  Nb91  1  0.500253  0.242290  0.503024  1
  Nb  Nb92  1  0.500253  0.942280  0.447451  1
  Nb  Nb93  1  0.500253  0.542277  0.558588  1
  Nb  Nb94  1  0.500253  0.155491  0.500671  1
  Nb  Nb95  1  0.500253  0.855505  0.445108  1
  Nb  Nb96  1  0.500253  0.455502  0.556244  1
  Nb  Nb97  1  0.751936  0.284899  0.458513  1
  Nb  Nb98  1  0.751926  0.884897  0.569633  1
  Nb  Nb99  1  0.751938  0.584894  0.514074  1
  Nb  Nb100  1  0.251942  0.276882  0.549628  1
  Nb  Nb101  1  0.251943  0.976881  0.494071  1
  Nb  Nb102  1  0.251926  0.676889  0.438515  1
  Nb  Nb103  1  0.251942  0.120900  0.454067  1
  Nb  Nb104  1  0.251924  0.720893  0.565181  1
  Nb  Nb105  1  0.251944  0.420900  0.509625  1
  Nb  Nb106  1  0.751936  0.112883  0.545182  1
  Nb  Nb107  1  0.751939  0.812887  0.489621  1
  Nb  Nb108  1  0.751914  0.512885  0.434062  1
  Nb  Nb109  1  0.748564  0.120900  0.454067  1
  Nb  Nb110  1  0.748581  0.720893  0.565181  1
  Nb  Nb111  1  0.748561  0.420900  0.509625  1
  Nb  Nb112  1  0.748564  0.276882  0.549628  1
  Nb  Nb113  1  0.748562  0.976881  0.494071  1
  Nb  Nb114  1  0.748579  0.676889  0.438515  1
  Nb  Nb115  1  0.248570  0.284899  0.458513  1
  Nb  Nb116  1  0.248580  0.884897  0.569633  1
  Nb  Nb117  1  0.248567  0.584894  0.514074  1
  Nb  Nb118  1  0.248569  0.112883  0.545182  1
  Nb  Nb119  1  0.248567  0.812887  0.489621  1
  Nb  Nb120  1  0.248591  0.512885  0.434062  1
  Nb  Nb121  1  0.500253  0.228771  0.672881  1
  Nb  Nb122  1  0.500253  0.928425  0.617919  1
  Nb  Nb123  1  0.500253  0.528465  0.726510  1
  Nb  Nb124  1  1.000253  0.089796  0.735924  1
  Nb  Nb125  1  0.000253  0.789852  0.684932  1
  Nb  Nb126  1  0.000253  0.490062  0.629352  1
  Nb  Nb127  1  0.000253  0.107722  0.596637  1
  Nb  Nb128  1  0.000253  0.707960  0.707931  1
  Nb  Nb129  1  1.000253  0.407629  0.652212  1
  Nb  Nb130  1  0.500253  0.969504  0.663678  1
  Nb  Nb131  1  0.500253  0.669457  0.608067  1
  Nb  Nb132  1  0.500253  0.269163  0.719157  1
  Nb  Nb133  1  0.500253  0.274566  0.632944  1
  Nb  Nb134  1  0.500253  0.876138  0.741950  1
  Nb  Nb135  1  0.500253  0.574021  0.689176  1
  Nb  Nb136  1  0.000253  0.262904  0.599429  1
  Nb  Nb137  1  1.000253  0.863881  0.712021  1
  Nb  Nb138  1  1.000253  0.562892  0.655072  1
  Nb  Nb139  1  0.000253  0.932870  0.736481  1
  Nb  Nb140  1  0.000253  0.635316  0.682500  1
  Nb  Nb141  1  0.000253  0.334922  0.626528  1
  Nb  Nb142  1  0.500253  0.922912  0.705519  1
  Nb  Nb143  1  0.500253  0.623275  0.648502  1
  Nb  Nb144  1  0.500253  0.323252  0.592958  1
  Nb  Nb145  1  0.000253  0.101003  0.644366  1
  Nb  Nb146  1  1.000253  0.801017  0.588854  1
  Nb  Nb147  1  0.000253  0.401033  0.701736  1
  Nb  Nb148  1  1.000253  0.096733  0.694141  1
  Nb  Nb149  1  0.000253  0.796844  0.637071  1
  Nb  Nb150  1  0.000253  0.397274  0.744373  1
  Nb  Nb151  1  0.500253  0.142327  0.669998  1
  Nb  Nb152  1  0.500253  0.842328  0.614150  1
  Nb  Nb153  1  0.500253  0.441186  0.725310  1
  Nb  Nb154  1  0.500253  0.055492  0.667556  1
  Nb  Nb155  1  0.500253  0.755471  0.611734  1
  Nb  Nb156  1  0.500253  0.356327  0.723056  1
  Nb  Nb157  1  0.751952  0.184855  0.625187  1
  Nb  Nb158  1  0.761020  0.784641  0.735734  1
  Nb  Nb159  1  0.751895  0.484721  0.680873  1
  Nb  Nb160  1  0.251920  0.177312  0.716500  1
  Nb  Nb161  1  0.251852  0.876901  0.660850  1
  Nb  Nb162  1  0.251913  0.576888  0.605200  1
  Nb  Nb163  1  0.251961  0.020930  0.620784  1
  Nb  Nb164  1  0.252428  0.621695  0.730836  1
  Nb  Nb165  1  0.252599  0.320694  0.676447  1
  Nb  Nb166  1  0.750177  0.012490  0.711945  1
  Nb  Nb167  1  0.752822  0.713026  0.656161  1
  Nb  Nb168  1  0.751865  0.412892  0.600798  1
  Nb  Nb169  1  0.748545  0.020930  0.620784  1
  Nb  Nb170  1  0.748077  0.621695  0.730836  1
  Nb  Nb171  1  0.747906  0.320694  0.676447  1
  Nb  Nb172  1  0.748585  0.177312  0.716500  1
  Nb  Nb173  1  0.748653  0.876901  0.660850  1
  Nb  Nb174  1  0.748592  0.576888  0.605200  1
  Nb  Nb175  1  0.248553  0.184855  0.625187  1
  Nb  Nb176  1  0.239485  0.784641  0.735734  1
  Nb  Nb177  1  0.248610  0.484721  0.680873  1
  Nb  Nb178  1  0.250328  0.012490  0.711945  1
  Nb  Nb179  1  0.247684  0.713026  0.656161  1
  Nb  Nb180  1  0.248640  0.412892  0.600798  1
  Al  Al181  1  0.500253  0.348747  0.254360  1
  Al  Al182  1  0.500253  0.948882  0.362962  1
  Al  Al183  1  0.500253  0.648964  0.307206  1
  Al  Al184  1  0.000253  0.448870  0.362975  1
  Al  Al185  1  0.000253  0.149051  0.307244  1
  Al  Al186  1  0.000253  0.845930  0.253814  1
  Al  Al187  1  0.500253  0.301560  0.292233  1
  Al  Al188  1  0.500253  0.902413  0.403236  1
  Al  Al189  1  0.500253  0.603418  0.348181  1
  Al  Al190  1  0.000253  0.376093  0.337064  1
  Al  Al191  1  1.000253  0.075585  0.282113  1
  Al  Al192  1  1.000253  0.676107  0.392786  1
  Al  Al193  1  0.000253  0.221756  0.333282  1
  Al  Al194  1  1.000253  0.922096  0.277595  1
  Al  Al195  1  1.000253  0.521641  0.388647  1
  Al  Al196  1  0.500253  0.295227  0.378080  1
  Al  Al197  1  0.500253  0.995216  0.322476  1
  Al  Al198  1  0.500253  0.695552  0.267147  1
  Al  Al199  1  1.000253  0.455345  0.315084  1
  Al  Al200  1  1.000253  0.157354  0.260133  1
  Al  Al201  1  1.000253  0.755489  0.370724  1
  Al  Al202  1  0.000253  0.142512  0.355201  1
  Al  Al203  1  0.000253  0.842130  0.300094  1
  Al  Al204  1  1.000253  0.442447  0.410731  1
  Al  Al205  1  0.500253  0.435764  0.256502  1
  Al  Al206  1  0.500253  0.034907  0.366611  1
  Al  Al207  1  0.500253  0.735231  0.311161  1
  Al  Al208  1  0.500253  0.162868  0.414852  1
  Al  Al209  1  0.500253  0.862904  0.359248  1
  Al  Al210  1  0.500253  0.562924  0.303756  1
  Al  Al211  1  0.500253  0.248892  0.418510  1
  Al  Al212  1  0.500253  0.848891  0.529625  1
  Al  Al213  1  0.500253  0.548890  0.474070  1
  Al  Al214  1  1.000253  0.348890  0.529625  1
  Al  Al215  1  0.000253  0.048891  0.474070  1
  Al  Al216  1  0.000253  0.748890  0.418512  1
  Al  Al217  1  0.500253  0.202578  0.458943  1
  Al  Al218  1  0.500253  0.802562  0.570054  1
  Al  Al219  1  0.500253  0.502556  0.514495  1
  Al  Al220  1  1.000253  0.276119  0.503887  1
  Al  Al221  1  1.000253  0.976119  0.448326  1
  Al  Al222  1  0.000253  0.576111  0.559443  1
  Al  Al223  1  0.000253  0.121662  0.499808  1
  Al  Al224  1  0.000253  0.821670  0.444253  1
  Al  Al225  1  0.000253  0.421662  0.555370  1
  Al  Al226  1  0.500253  0.195203  0.544756  1
  Al  Al227  1  0.500253  0.895226  0.489200  1
  Al  Al228  1  0.500253  0.595220  0.433641  1
  Al  Al229  1  1.000253  0.355490  0.481840  1
  Al  Al230  1  1.000253  0.055486  0.426281  1
  Al  Al231  1  0.000253  0.655478  0.537404  1
  Al  Al232  1  0.000253  0.042292  0.521856  1
  Al  Al233  1  0.000253  0.742298  0.466293  1
  Al  Al234  1  0.000253  0.342297  0.577415  1
  Al  Al235  1  0.500253  0.334930  0.422194  1
  Al  Al236  1  0.500253  0.934907  0.533292  1
  Al  Al237  1  0.500253  0.634905  0.477733  1
  Al  Al238  1  0.500253  0.062853  0.581502  1
  Al  Al239  1  0.500253  0.762876  0.525962  1
  Al  Al240  1  0.500253  0.462874  0.470403  1
  Al  Al241  1  0.500253  0.148889  0.585186  1
  Al  Al242  1  0.500253  0.748799  0.696489  1
  Al  Al243  1  0.500253  0.448882  0.640722  1
  Al  Al244  1  0.000253  0.248729  0.696455  1
  Al  Al245  1  0.000253  0.948925  0.640736  1
  Al  Al246  1  0.000253  0.648891  0.585184  1
  Al  Al247  1  0.500253  0.102555  0.625615  1
  Al  Al248  1  0.500253  0.702255  0.736554  1
  Al  Al249  1  0.500253  0.402581  0.681234  1
  Al  Al250  1  0.000253  0.175977  0.670438  1
  Al  Al251  1  1.000253  0.876148  0.615059  1
  Al  Al252  1  1.000253  0.476802  0.726255  1
  Al  Al253  1  0.000253  0.021685  0.666595  1
  Al  Al254  1  1.000253  0.721674  0.610910  1
  Al  Al255  1  1.000253  0.322186  0.721464  1
  Al  Al256  1  0.500253  0.095698  0.712106  1
  Al  Al257  1  0.500253  0.794380  0.655504  1
  Al  Al258  1  0.500253  0.495340  0.600451  1
  Al  Al259  1  1.000253  0.255291  0.648487  1
  Al  Al260  1  1.000253  0.955405  0.593022  1
  Al  Al261  1  0.000253  0.555729  0.704564  1
  Al  Al262  1  1.000253  0.942361  0.688585  1
  Al  Al263  1  1.000253  0.642291  0.632972  1
  Al  Al264  1  0.000253  0.240571  0.743666  1
  Al  Al265  1  0.500253  0.234912  0.588844  1
  Al  Al266  1  0.500253  0.834874  0.699940  1
  Al  Al267  1  0.500253  0.534842  0.644533  1
  Al  Al268  1  0.500253  0.963214  0.746334  1
  Al  Al269  1  0.500253  0.662615  0.692484  1
  Al  Al270  1  0.500253  0.362856  0.637067  1
