# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97346837
_cell_length_b   18.02042174
_cell_length_c   58.15004355
_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   10451.0809055
_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  0.101872  0.469151  0.325341  1
  Nb  Nb2  1  0.102721  0.699922  0.373832  1
  Nb  Nb3  1  0.102431  0.931015  0.421106  1
  Nb  Nb4  1  0.397522  0.199922  0.373832  1
  Nb  Nb5  1  0.397812  0.431015  0.421106  1
  Nb  Nb6  1  0.398370  0.969151  0.325341  1
  Nb  Nb7  1  0.601069  0.262519  0.343382  1
  Nb  Nb8  1  0.603134  0.494424  0.391708  1
  Nb  Nb9  1  0.607062  0.028687  0.298407  1
  Nb  Nb10  1  0.893181  0.528687  0.298407  1
  Nb  Nb11  1  0.899174  0.762519  0.343382  1
  Nb  Nb12  1  0.897108  0.994424  0.391708  1
  Nb  Nb13  1  0.037366  0.388503  0.363060  1
  Nb  Nb14  1  0.037149  0.618943  0.411644  1
  Nb  Nb15  1  0.038142  0.151956  0.316762  1
  Nb  Nb16  1  0.133110  0.219557  0.364021  1
  Nb  Nb17  1  0.133089  0.450711  0.411756  1
  Nb  Nb18  1  0.132222  0.988830  0.316159  1
  Nb  Nb19  1  0.868410  0.242730  0.353118  1
  Nb  Nb20  1  0.867005  0.473650  0.401064  1
  Nb  Nb21  1  0.858107  0.009446  0.306836  1
  Nb  Nb22  1  0.963102  0.306441  0.401386  1
  Nb  Nb23  1  0.964198  0.840292  0.308224  1
  Nb  Nb24  1  0.963889  0.076143  0.352959  1
  Nb  Nb25  1  0.536045  0.340292  0.308224  1
  Nb  Nb26  1  0.536354  0.576143  0.352959  1
  Nb  Nb27  1  0.537140  0.806441  0.401386  1
  Nb  Nb28  1  0.463094  0.118943  0.411644  1
  Nb  Nb29  1  0.462101  0.651956  0.316762  1
  Nb  Nb30  1  0.462876  0.888503  0.363060  1
  Nb  Nb31  1  0.368021  0.488830  0.316159  1
  Nb  Nb32  1  0.367133  0.719557  0.364021  1
  Nb  Nb33  1  0.367154  0.950711  0.411756  1
  Nb  Nb34  1  0.642136  0.509446  0.306836  1
  Nb  Nb35  1  0.631833  0.742730  0.353118  1
  Nb  Nb36  1  0.633238  0.973650  0.401064  1
  Nb  Nb37  1  0.321103  0.342686  0.344168  1
  Nb  Nb38  1  0.320827  0.574727  0.392485  1
  Nb  Nb39  1  0.320519  0.110800  0.298406  1
  Nb  Nb40  1  0.179724  0.610800  0.298406  1
  Nb  Nb41  1  0.179140  0.842686  0.344168  1
  Nb  Nb42  1  0.179416  0.074727  0.392485  1
  Nb  Nb43  1  0.820904  0.502015  0.348239  1
  Nb  Nb44  1  0.819951  0.733342  0.396275  1
  Nb  Nb45  1  0.823288  0.271969  0.303235  1
  Nb  Nb46  1  0.680291  0.233342  0.396275  1
  Nb  Nb47  1  0.676955  0.771969  0.303235  1
  Nb  Nb48  1  0.679339  0.002015  0.348239  1
  Nb  Nb49  1  0.813835  0.385187  0.323721  1
  Nb  Nb50  1  0.820734  0.618176  0.372769  1
  Nb  Nb51  1  0.820007  0.849895  0.420259  1
  Nb  Nb52  1  0.179799  0.191344  0.416471  1
  Nb  Nb53  1  0.181787  0.724295  0.320386  1
  Nb  Nb54  1  0.180912  0.959961  0.368324  1
  Nb  Nb55  1  0.319331  0.459961  0.368324  1
  Nb  Nb56  1  0.320444  0.691344  0.416471  1
  Nb  Nb57  1  0.318456  0.224295  0.320386  1
  Nb  Nb58  1  0.680236  0.349895  0.420259  1
  Nb  Nb59  1  0.686408  0.885187  0.323721  1
  Nb  Nb60  1  0.679509  0.118176  0.372769  1
  Nb  Nb61  1  0.103067  0.162192  0.468674  1
  Nb  Nb62  1  0.103062  0.393512  0.516408  1
  Nb  Nb63  1  0.103002  0.624728  0.564065  1
  Nb  Nb64  1  0.397181  0.893512  0.516408  1
  Nb  Nb65  1  0.397241  0.124728  0.564065  1
  Nb  Nb66  1  0.397176  0.662192  0.468674  1
  Nb  Nb67  1  0.603054  0.956571  0.487022  1
  Nb  Nb68  1  0.603069  0.187872  0.534732  1
  Nb  Nb69  1  0.602991  0.725340  0.439365  1
  Nb  Nb70  1  0.897252  0.225340  0.439365  1
  Nb  Nb71  1  0.897189  0.456571  0.487022  1
  Nb  Nb72  1  0.897174  0.687872  0.534732  1
  Nb  Nb73  1  0.037304  0.081201  0.506575  1
  Nb  Nb74  1  0.037210  0.312569  0.554256  1
  Nb  Nb75  1  0.037330  0.849803  0.458879  1
  Nb  Nb76  1  0.132532  0.913669  0.507023  1
  Nb  Nb77  1  0.132388  0.144745  0.554665  1
  Nb  Nb78  1  0.132492  0.682563  0.459371  1
  Nb  Nb79  1  0.867712  0.936408  0.496408  1
  Nb  Nb80  1  0.867737  0.167510  0.544057  1
  Nb  Nb81  1  0.867837  0.705317  0.448767  1
  Nb  Nb82  1  0.962915  0.000267  0.544548  1
  Nb  Nb83  1  0.963022  0.537510  0.449174  1
  Nb  Nb84  1  0.962943  0.768875  0.496856  1
  Nb  Nb85  1  0.537221  0.037510  0.449174  1
  Nb  Nb86  1  0.537300  0.268875  0.496856  1
  Nb  Nb87  1  0.537328  0.500267  0.544548  1
  Nb  Nb88  1  0.463033  0.812569  0.554256  1
  Nb  Nb89  1  0.462913  0.349803  0.458879  1
  Nb  Nb90  1  0.462938  0.581201  0.506575  1
  Nb  Nb91  1  0.367751  0.182563  0.459371  1
  Nb  Nb92  1  0.367710  0.413669  0.507023  1
  Nb  Nb93  1  0.367855  0.644745  0.554665  1
  Nb  Nb94  1  0.632405  0.205317  0.448767  1
  Nb  Nb95  1  0.632531  0.436408  0.496408  1
  Nb  Nb96  1  0.632506  0.667510  0.544057  1
  Nb  Nb97  1  0.320077  0.037608  0.487822  1
  Nb  Nb98  1  0.319954  0.268802  0.535475  1
  Nb  Nb99  1  0.320037  0.806268  0.440165  1
  Nb  Nb100  1  0.180206  0.306268  0.440165  1
  Nb  Nb101  1  0.180166  0.537608  0.487822  1
  Nb  Nb102  1  0.180289  0.768802  0.535475  1
  Nb  Nb103  1  0.820041  0.196092  0.491634  1
  Nb  Nb104  1  0.820016  0.427314  0.539275  1
  Nb  Nb105  1  0.819962  0.964780  0.443994  1
  Nb  Nb106  1  0.680227  0.927314  0.539275  1
  Nb  Nb107  1  0.680281  0.464780  0.443994  1
  Nb  Nb108  1  0.680202  0.696092  0.491634  1
  Nb  Nb109  1  0.819970  0.081271  0.467958  1
  Nb  Nb110  1  0.820075  0.312468  0.515608  1
  Nb  Nb111  1  0.820049  0.543822  0.563266  1
  Nb  Nb112  1  0.180259  0.885295  0.559434  1
  Nb  Nb113  1  0.180230  0.422761  0.464152  1
  Nb  Nb114  1  0.180200  0.653995  0.511796  1
  Nb  Nb115  1  0.320042  0.153995  0.511796  1
  Nb  Nb116  1  0.319984  0.385295  0.559434  1
  Nb  Nb117  1  0.320013  0.922761  0.464152  1
  Nb  Nb118  1  0.680194  0.043822  0.563266  1
  Nb  Nb119  1  0.680272  0.581271  0.467958  1
  Nb  Nb120  1  0.680168  0.812468  0.515608  1
  Nb  Nb121  1  0.103086  0.855684  0.611717  1
  Nb  Nb122  1  0.100914  0.087853  0.660012  1
  Nb  Nb123  1  0.109980  0.319043  0.704664  1
  Nb  Nb124  1  0.399329  0.587853  0.660012  1
  Nb  Nb125  1  0.390263  0.819043  0.704664  1
  Nb  Nb126  1  0.397157  0.355684  0.611717  1
  Nb  Nb127  1  0.602388  0.650356  0.629602  1
  Nb  Nb128  1  0.601994  0.880354  0.677597  1
  Nb  Nb129  1  0.602522  0.419079  0.582279  1
  Nb  Nb130  1  0.897720  0.919079  0.582279  1
  Nb  Nb131  1  0.897855  0.150356  0.629602  1
  Nb  Nb132  1  0.898249  0.380354  0.677597  1
  Nb  Nb133  1  0.036226  0.774007  0.650416  1
  Nb  Nb134  1  0.036638  0.009234  0.695349  1
  Nb  Nb135  1  0.037137  0.543646  0.602013  1
  Nb  Nb136  1  0.131277  0.607291  0.650259  1
  Nb  Nb137  1  0.142913  0.839307  0.696584  1
  Nb  Nb138  1  0.133295  0.376423  0.602330  1
  Nb  Nb139  1  0.867546  0.630200  0.639540  1
  Nb  Nb140  1  0.867880  0.861600  0.687169  1
  Nb  Nb141  1  0.867000  0.399398  0.591630  1
  Nb  Nb142  1  0.961889  0.698432  0.686512  1
  Nb  Nb143  1  0.963098  0.231041  0.591753  1
  Nb  Nb144  1  0.962327  0.461502  0.640164  1
  Nb  Nb145  1  0.537145  0.731041  0.591753  1
  Nb  Nb146  1  0.537916  0.961502  0.640164  1
  Nb  Nb147  1  0.538354  0.198432  0.686512  1
  Nb  Nb148  1  0.463605  0.509234  0.695349  1
  Nb  Nb149  1  0.463106  0.043646  0.602013  1
  Nb  Nb150  1  0.464017  0.274007  0.650416  1
  Nb  Nb151  1  0.366947  0.876423  0.602330  1
  Nb  Nb152  1  0.368966  0.107291  0.650259  1
  Nb  Nb153  1  0.357330  0.339307  0.696584  1
  Nb  Nb154  1  0.633242  0.899398  0.591630  1
  Nb  Nb155  1  0.632697  0.130200  0.639540  1
  Nb  Nb156  1  0.632363  0.361600  0.687169  1
  Nb  Nb157  1  0.320868  0.731885  0.630610  1
  Nb  Nb158  1  0.310557  0.964509  0.679236  1
  Nb  Nb159  1  0.320094  0.500181  0.583167  1
  Nb  Nb160  1  0.180149  1.000181  0.583167  1
  Nb  Nb161  1  0.179375  0.231885  0.630610  1
  Nb  Nb162  1  0.189686  0.464509  0.679236  1
  Nb  Nb163  1  0.819369  0.890105  0.635107  1
  Nb  Nb164  1  0.819388  0.125964  0.682858  1
  Nb  Nb165  1  0.820441  0.658744  0.586975  1
  Nb  Nb166  1  0.680855  0.625964  0.682858  1
  Nb  Nb167  1  0.679802  0.158744  0.586975  1
  Nb  Nb168  1  0.680873  0.390105  0.635107  1
  Nb  Nb169  1  0.820795  0.775272  0.610938  1
  Nb  Nb170  1  0.821305  0.007511  0.659268  1
  Nb  Nb171  1  0.821074  0.238787  0.704747  1
  Nb  Nb172  1  0.177937  0.577818  0.699192  1
  Nb  Nb173  1  0.180224  0.116689  0.607147  1
  Nb  Nb174  1  0.179739  0.347768  0.655006  1
  Nb  Nb175  1  0.320504  0.847768  0.655006  1
  Nb  Nb176  1  0.322306  0.077818  0.699192  1
  Nb  Nb177  1  0.320019  0.616689  0.607147  1
  Nb  Nb178  1  0.679169  0.738787  0.704747  1
  Nb  Nb179  1  0.679448  0.275272  0.610938  1
  Nb  Nb180  1  0.678938  0.507511  0.659268  1
  Al  Al181  1  0.500113  0.347203  0.382398  1
  Al  Al182  1  0.507261  0.893156  0.291840  1
  Al  Al183  1  0.499521  0.115840  0.335050  1
  Al  Al184  1  0.992982  0.393156  0.291840  1
  Al  Al185  1  0.000721  0.615840  0.335050  1
  Al  Al186  1  0.000129  0.847203  0.382398  1
  Al  Al187  1  0.566250  0.427752  0.344727  1
  Al  Al188  1  0.567181  0.659222  0.392396  1
  Al  Al189  1  0.566373  0.198748  0.297474  1
  Al  Al190  1  0.267650  0.365972  0.299729  1
  Al  Al191  1  0.266198  0.594704  0.344858  1
  Al  Al192  1  0.264441  0.826750  0.391842  1
  Al  Al193  1  0.734867  0.098534  0.420798  1
  Al  Al194  1  0.734054  0.636487  0.326033  1
  Al  Al195  1  0.735649  0.867746  0.372862  1
  Al  Al196  1  0.433648  0.265484  0.419829  1
  Al  Al197  1  0.431932  0.800807  0.326336  1
  Al  Al198  1  0.433264  0.037112  0.374393  1
  Al  Al199  1  0.068311  0.300807  0.326336  1
  Al  Al200  1  0.066979  0.537112  0.374393  1
  Al  Al201  1  0.066595  0.765484  0.419829  1
  Al  Al202  1  0.933062  0.159222  0.392396  1
  Al  Al203  1  0.933870  0.698748  0.297474  1
  Al  Al204  1  0.933993  0.927752  0.344727  1
  Al  Al205  1  0.235801  0.326750  0.391842  1
  Al  Al206  1  0.232593  0.865972  0.299729  1
  Al  Al207  1  0.234044  0.094704  0.344858  1
  Al  Al208  1  0.764594  0.367746  0.372862  1
  Al  Al209  1  0.765375  0.598534  0.420798  1
  Al  Al210  1  0.766189  0.136487  0.326033  1
  Al  Al211  1  0.500109  0.040663  0.525523  1
  Al  Al212  1  0.500195  0.578191  0.430275  1
  Al  Al213  1  0.500140  0.809417  0.477910  1
  Al  Al214  1  1.000047  0.078191  0.430275  1
  Al  Al215  1  1.000103  0.309417  0.477910  1
  Al  Al216  1  0.000134  0.540663  0.525523  1
  Al  Al217  1  0.566448  0.121789  0.487734  1
  Al  Al218  1  0.566130  0.353057  0.535370  1
  Al  Al219  1  0.566517  0.890564  0.440086  1
  Al  Al220  1  0.264778  0.057798  0.439741  1
  Al  Al221  1  0.264846  0.289116  0.487364  1
  Al  Al222  1  0.264789  0.520384  0.535014  1
  Al  Al223  1  0.735456  0.792252  0.563682  1
  Al  Al224  1  0.735463  0.329686  0.468417  1
  Al  Al225  1  0.735399  0.560965  0.516067  1
  Al  Al226  1  0.433740  0.959529  0.563345  1
  Al  Al227  1  0.434178  0.496986  0.468056  1
  Al  Al228  1  0.433783  0.728297  0.515696  1
  Al  Al229  1  0.066065  0.996986  0.468056  1
  Al  Al230  1  0.066460  0.228297  0.515696  1
  Al  Al231  1  0.066503  0.459529  0.563345  1
  Al  Al232  1  0.934112  0.853057  0.535370  1
  Al  Al233  1  0.933726  0.390564  0.440086  1
  Al  Al234  1  0.933795  0.621789  0.487734  1
  Al  Al235  1  0.235453  0.020384  0.535014  1
  Al  Al236  1  0.235464  0.557798  0.439741  1
  Al  Al237  1  0.235397  0.789116  0.487364  1
  Al  Al238  1  0.764844  0.060965  0.516067  1
  Al  Al239  1  0.764787  0.292252  0.563682  1
  Al  Al240  1  0.764780  0.829686  0.468417  1
  Al  Al241  1  0.500412  0.733840  0.668227  1
  Al  Al242  1  0.500040  0.271878  0.573161  1
  Al  Al243  1  0.500079  0.502886  0.621037  1
  Al  Al244  1  0.000202  0.771878  0.573161  1
  Al  Al245  1  0.000164  0.002886  0.621037  1
  Al  Al246  1  0.999831  0.233840  0.668227  1
  Al  Al247  1  0.566506  0.813138  0.628819  1
  Al  Al248  1  0.566379  0.047938  0.677730  1
  Al  Al249  1  0.566834  0.584553  0.583573  1
  Al  Al250  1  0.265332  0.751592  0.582611  1
  Al  Al251  1  0.264612  0.982317  0.630502  1
  Al  Al252  1  0.267160  0.213745  0.677262  1
  Al  Al253  1  0.735261  0.481552  0.703042  1
  Al  Al254  1  0.735701  0.023329  0.611578  1
  Al  Al255  1  0.734027  0.255755  0.658543  1
  Al  Al256  1  0.433413  0.651510  0.705951  1
  Al  Al257  1  0.433327  0.190885  0.611027  1
  Al  Al258  1  0.434453  0.422314  0.658681  1
  Al  Al259  1  0.066916  0.690885  0.611027  1
  Al  Al260  1  0.065790  0.922314  0.658681  1
  Al  Al261  1  0.066830  0.151510  0.705951  1
  Al  Al262  1  0.933863  0.547938  0.677730  1
  Al  Al263  1  0.933408  0.084553  0.583573  1
  Al  Al264  1  0.933737  0.313138  0.628819  1
  Al  Al265  1  0.233083  0.713745  0.677262  1
  Al  Al266  1  0.234911  0.251592  0.582611  1
  Al  Al267  1  0.235631  0.482317  0.630502  1
  Al  Al268  1  0.766216  0.755755  0.658543  1
  Al  Al269  1  0.764982  0.981552  0.703042  1
  Al  Al270  1  0.764541  0.523329  0.611578  1
