# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96278652
_cell_length_b   11.14150541
_cell_length_c   49.07962467
_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   'Nb100 Al50'
_cell_volume   5447.85992746
_cell_formula_units_Z   50
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  0.108152  0.624158  0.329449  1
  Nb  Nb2  1  0.395738  0.124577  0.328170  1
  Nb  Nb3  1  0.602893  0.292202  0.310061  1
  Nb  Nb4  1  0.897358  0.788776  0.309906  1
  Nb  Nb5  1  0.034901  0.410361  0.352160  1
  Nb  Nb6  1  0.130679  0.175169  0.323074  1
  Nb  Nb7  1  0.865676  0.229311  0.316112  1
  Nb  Nb8  1  0.963712  0.979023  0.290308  1
  Nb  Nb9  1  0.539758  0.481836  0.290620  1
  Nb  Nb10  1  0.465535  0.909366  0.352302  1
  Nb  Nb11  1  0.370022  0.677119  0.322403  1
  Nb  Nb12  1  0.637277  0.730156  0.315583  1
  Nb  Nb13  1  0.318741  0.398876  0.325267  1
  Nb  Nb14  1  0.181604  0.896036  0.324695  1
  Nb  Nb15  1  0.823202  0.608128  0.356018  1
  Nb  Nb16  1  0.678365  0.108969  0.356528  1
  Nb  Nb17  1  0.822179  0.508100  0.311431  1
  Nb  Nb18  1  0.172704  0.798560  0.281879  1
  Nb  Nb19  1  0.322013  0.301438  0.283069  1
  Nb  Nb20  1  0.679612  0.010657  0.312204  1
  Nb  Nb21  1  0.103277  0.822482  0.419951  1
  Nb  Nb22  1  0.398259  0.322214  0.420084  1
  Nb  Nb23  1  0.604105  0.488050  0.400890  1
  Nb  Nb24  1  0.897274  0.988083  0.400870  1
  Nb  Nb25  1  0.038075  0.612323  0.443586  1
  Nb  Nb26  1  0.132573  0.376190  0.413567  1
  Nb  Nb27  1  0.867268  0.435686  0.406616  1
  Nb  Nb28  1  0.962122  0.199953  0.376529  1
  Nb  Nb29  1  0.539248  0.700113  0.376383  1
  Nb  Nb30  1  0.463140  0.112247  0.443561  1
  Nb  Nb31  1  0.368481  0.876197  0.413527  1
  Nb  Nb32  1  0.633886  0.935424  0.406637  1
  Nb  Nb33  1  0.321019  0.599576  0.416429  1
  Nb  Nb34  1  0.180238  0.099160  0.416304  1
  Nb  Nb35  1  0.820606  0.811193  0.448964  1
  Nb  Nb36  1  0.680807  0.311273  0.449060  1
  Nb  Nb37  1  0.820417  0.709081  0.403797  1
  Nb  Nb38  1  0.182788  0.999447  0.371112  1
  Nb  Nb39  1  0.318492  0.500021  0.371527  1
  Nb  Nb40  1  0.680792  0.209340  0.403915  1
  Nb  Nb41  1  0.103699  0.024589  0.510732  1
  Nb  Nb42  1  0.397600  0.524642  0.510734  1
  Nb  Nb43  1  0.603699  0.689410  0.491948  1
  Nb  Nb44  1  0.897600  0.189357  0.491947  1
  Nb  Nb45  1  0.038073  0.813842  0.534817  1
  Nb  Nb46  1  0.133328  0.577187  0.504720  1
  Nb  Nb47  1  0.868001  0.636863  0.497963  1
  Nb  Nb48  1  0.963284  0.400246  0.467861  1
  Nb  Nb49  1  0.538073  0.900157  0.467864  1
  Nb  Nb50  1  0.463284  0.313753  0.534820  1
  Nb  Nb51  1  0.368001  0.077136  0.504717  1
  Nb  Nb52  1  0.633328  0.136812  0.497960  1
  Nb  Nb53  1  0.320267  0.801128  0.507615  1
  Nb  Nb54  1  0.181035  0.300959  0.507587  1
  Nb  Nb55  1  0.820674  0.013004  0.540329  1
  Nb  Nb56  1  0.680705  0.513064  0.540379  1
  Nb  Nb57  1  0.820267  0.912871  0.495065  1
  Nb  Nb58  1  0.180705  0.200935  0.462301  1
  Nb  Nb59  1  0.320674  0.700995  0.462351  1
  Nb  Nb60  1  0.681035  0.413040  0.495094  1
  Nb  Nb61  1  0.104105  0.225949  0.601791  1
  Nb  Nb62  1  0.397274  0.725916  0.601810  1
  Nb  Nb63  1  0.603277  0.891517  0.582729  1
  Nb  Nb64  1  0.898259  0.391785  0.582597  1
  Nb  Nb65  1  0.039248  0.013886  0.626298  1
  Nb  Nb66  1  0.133886  0.778575  0.596044  1
  Nb  Nb67  1  0.868481  0.837802  0.589154  1
  Nb  Nb68  1  0.963140  0.601752  0.559119  1
  Nb  Nb69  1  0.538075  0.101677  0.559095  1
  Nb  Nb70  1  0.462122  0.514046  0.626151  1
  Nb  Nb71  1  0.367268  0.278313  0.596064  1
  Nb  Nb72  1  0.632573  0.337809  0.589114  1
  Nb  Nb73  1  0.320417  0.004918  0.598884  1
  Nb  Nb74  1  0.180792  0.504659  0.598765  1
  Nb  Nb75  1  0.818492  0.213978  0.631153  1
  Nb  Nb76  1  0.682788  0.714552  0.631568  1
  Nb  Nb77  1  0.821019  0.114423  0.586252  1
  Nb  Nb78  1  0.180807  0.402726  0.553621  1
  Nb  Nb79  1  0.320606  0.902806  0.553716  1
  Nb  Nb80  1  0.680238  0.614839  0.586377  1
  Nb  Nb81  1  0.102893  0.421797  0.692620  1
  Nb  Nb82  1  0.397358  0.925223  0.692775  1
  Nb  Nb83  1  0.608152  0.089841  0.673231  1
  Nb  Nb84  1  0.895738  0.589422  0.674510  1
  Nb  Nb85  1  0.039758  0.232163  0.712060  1
  Nb  Nb86  1  0.137277  0.983843  0.687097  1
  Nb  Nb87  1  0.870022  0.036880  0.680277  1
  Nb  Nb88  1  0.965535  0.804633  0.650379  1
  Nb  Nb89  1  0.534901  0.303638  0.650520  1
  Nb  Nb90  1  0.463712  0.734976  0.712372  1
  Nb  Nb91  1  0.365676  0.484689  0.686568  1
  Nb  Nb92  1  0.630679  0.538830  0.679606  1
  Nb  Nb93  1  0.322179  0.205899  0.691249  1
  Nb  Nb94  1  0.179612  0.703342  0.690477  1
  Nb  Nb95  1  0.822013  0.412562  0.719611  1
  Nb  Nb96  1  0.672704  0.915439  0.720802  1
  Nb  Nb97  1  0.818741  0.315123  0.677414  1
  Nb  Nb98  1  0.178366  0.605030  0.646152  1
  Nb  Nb99  1  0.323202  0.105871  0.646662  1
  Nb  Nb100  1  0.681604  0.817963  0.677985  1
  Al  Al101  1  0.499308  0.306293  0.364476  1
  Al  Al102  1  0.005588  0.620167  0.281862  1
  Al  Al103  1  0.567345  0.518009  0.341289  1
  Al  Al104  1  0.275471  0.556552  0.283599  1
  Al  Al105  1  0.737049  0.858887  0.358573  1
  Al  Al106  1  0.436750  0.894923  0.300500  1
  Al  Al107  1  0.063934  0.391635  0.300360  1
  Al  Al108  1  0.933736  0.017501  0.341098  1
  Al  Al109  1  0.226107  0.057017  0.284331  1
  Al  Al110  1  0.764025  0.359582  0.358621  1
  Al  Al111  1  0.500907  0.506506  0.455927  1
  Al  Al112  1  0.001391  0.805734  0.364106  1
  Al  Al113  1  0.566399  0.717821  0.431581  1
  Al  Al114  1  0.265772  0.752520  0.370748  1
  Al  Al115  1  0.735332  0.059328  0.449833  1
  Al  Al116  1  0.434498  0.093446  0.388534  1
  Al  Al117  1  0.066846  0.593349  0.388712  1
  Al  Al118  1  0.934801  0.217887  0.431603  1
  Al  Al119  1  0.235208  0.252477  0.370973  1
  Al  Al120  1  0.766069  0.559478  0.449863  1
  Al  Al121  1  0.500477  0.707470  0.546761  1
  Al  Al122  1  1.000477  0.006529  0.455919  1
  Al  Al123  1  0.566709  0.919603  0.522778  1
  Al  Al124  1  0.265566  0.953229  0.461784  1
  Al  Al125  1  0.735757  0.260762  0.540889  1
  Al  Al126  1  0.434623  0.294424  0.479926  1
  Al  Al127  1  0.066709  0.794397  0.479902  1
  Al  Al128  1  0.934623  0.419575  0.522755  1
  Al  Al129  1  0.235757  0.453237  0.461791  1
  Al  Al130  1  0.765566  0.760770  0.540896  1
  Al  Al131  1  0.501391  0.908265  0.638574  1
  Al  Al132  1  0.000907  0.207493  0.546753  1
  Al  Al133  1  0.566846  0.120650  0.613968  1
  Al  Al134  1  0.266069  0.154521  0.552818  1
  Al  Al135  1  0.735208  0.461522  0.631708  1
  Al  Al136  1  0.434801  0.496112  0.571077  1
  Al  Al137  1  0.066399  0.996178  0.571099  1
  Al  Al138  1  0.934498  0.620553  0.614146  1
  Al  Al139  1  0.235332  0.654671  0.552848  1
  Al  Al140  1  0.765772  0.961479  0.631933  1
  Al  Al141  1  0.505588  0.093832  0.720818  1
  Al  Al142  1  0.999308  0.407707  0.638204  1
  Al  Al143  1  0.563934  0.322364  0.702320  1
  Al  Al144  1  0.264025  0.354417  0.644059  1
  Al  Al145  1  0.726107  0.656983  0.718349  1
  Al  Al146  1  0.433736  0.696498  0.661583  1
  Al  Al147  1  0.067345  0.195990  0.661392  1
  Al  Al148  1  0.936750  0.819076  0.702180  1
  Al  Al149  1  0.237049  0.855112  0.644108  1
  Al  Al150  1  0.775471  0.157448  0.719081  1
