# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.10803181
_cell_length_b   11.16112526
_cell_length_c   48.98456948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   129.19899219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al
_chemical_formula_sum   'Nb100 Al50'
_cell_volume   5977.37540221
_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  0.609894  0.219924  0.354201  1
  Nb  Nb2  1  0.986435  0.177501  0.299911  1
  Nb  Nb3  1  0.192842  0.177230  0.300411  1
  Nb  Nb4  1  0.746538  0.492108  0.319707  1
  Nb  Nb5  1  0.378115  0.085240  0.370312  1
  Nb  Nb6  1  0.167445  0.739195  0.351110  1
  Nb  Nb7  1  0.184897  0.979896  0.322045  1
  Nb  Nb8  1  0.965227  0.618017  0.307635  1
  Nb  Nb9  1  0.572081  0.739590  0.351127  1
  Nb  Nb10  1  0.795669  0.980668  0.321990  1
  Nb  Nb11  1  0.707296  0.085301  0.370323  1
  Nb  Nb12  1  0.653036  0.618272  0.307631  1
  Nb  Nb13  1  0.420998  0.842120  0.368815  1
  Nb  Nb14  1  0.896932  0.435812  0.356554  1
  Nb  Nb15  1  0.538957  0.435796  0.356618  1
  Nb  Nb16  1  0.015650  0.030177  0.345815  1
  Nb  Nb17  1  0.456880  0.272456  0.316464  1
  Nb  Nb18  1  0.812841  0.270151  0.316569  1
  Nb  Nb19  1  0.340121  0.680112  0.329912  1
  Nb  Nb20  1  0.932011  0.864187  0.305086  1
  Nb  Nb21  1  0.776932  0.553886  0.438140  1
  Nb  Nb22  1  0.158744  0.523855  0.378655  1
  Nb  Nb23  1  0.365108  0.523777  0.378702  1
  Nb  Nb24  1  0.914205  0.828359  0.403646  1
  Nb  Nb25  1  0.545897  0.421934  0.454449  1
  Nb  Nb26  1  0.336978  0.078488  0.434708  1
  Nb  Nb27  1  0.355188  0.303782  0.407026  1
  Nb  Nb28  1  0.145627  0.959690  0.386772  1
  Nb  Nb29  1  0.741512  0.078472  0.434710  1
  Nb  Nb30  1  0.948596  0.303774  0.407011  1
  Nb  Nb31  1  0.876057  0.421948  0.454455  1
  Nb  Nb32  1  0.814159  0.959726  0.386756  1
  Nb  Nb33  1  0.590287  0.180577  0.453063  1
  Nb  Nb34  1  0.066857  0.773735  0.441354  1
  Nb  Nb35  1  0.706875  0.773728  0.441356  1
  Nb  Nb36  1  0.183475  0.366957  0.429636  1
  Nb  Nb37  1  0.622794  0.607428  0.399942  1
  Nb  Nb38  1  0.984690  0.607404  0.399948  1
  Nb  Nb39  1  0.507741  0.015534  0.411474  1
  Nb  Nb40  1  0.100411  0.200917  0.388378  1
  Nb  Nb41  1  0.944490  0.888987  0.521320  1
  Nb  Nb42  1  0.326494  0.858958  0.462442  1
  Nb  Nb43  1  0.532466  0.858958  0.462443  1
  Nb  Nb44  1  0.081485  0.162951  0.487027  1
  Nb  Nb45  1  0.713200  0.756686  0.537938  1
  Nb  Nb46  1  0.504372  0.413345  0.518370  1
  Nb  Nb47  1  0.521673  0.638676  0.489973  1
  Nb  Nb48  1  0.312828  0.295339  0.470454  1
  Nb  Nb49  1  0.908973  0.413340  0.518369  1
  Nb  Nb50  1  0.117005  0.638685  0.489973  1
  Nb  Nb51  1  0.043486  0.756680  0.537937  1
  Nb  Nb52  1  0.982501  0.295333  0.470450  1
  Nb  Nb53  1  0.757919  0.515857  0.536702  1
  Nb  Nb54  1  0.234611  0.108998  0.524893  1
  Nb  Nb55  1  0.874402  0.109016  0.524889  1
  Nb  Nb56  1  0.351113  0.702224  0.513172  1
  Nb  Nb57  1  0.791327  0.942904  0.483444  1
  Nb  Nb58  1  0.151577  0.942906  0.483444  1
  Nb  Nb59  1  0.674913  0.349829  0.495174  1
  Nb  Nb60  1  0.268093  0.536203  0.471707  1
  Nb  Nb61  1  0.111618  0.223346  0.604710  1
  Nb  Nb62  1  0.493626  0.193042  0.545944  1
  Nb  Nb63  1  0.699417  0.193072  0.545944  1
  Nb  Nb64  1  0.249216  0.498198  0.569808  1
  Nb  Nb65  1  0.881004  0.092288  0.621574  1
  Nb  Nb66  1  0.671529  0.748165  0.601707  1
  Nb  Nb67  1  0.689110  0.973719  0.573586  1
  Nb  Nb68  1  0.480317  0.630221  0.553902  1
  Nb  Nb69  1  0.076638  0.748212  0.601709  1
  Nb  Nb70  1  0.284610  0.973721  0.573587  1
  Nb  Nb71  1  0.211236  0.092216  0.621575  1
  Nb  Nb72  1  0.149911  0.630245  0.553885  1
  Nb  Nb73  1  0.926787  0.853577  0.620352  1
  Nb  Nb74  1  0.403069  0.444208  0.608243  1
  Nb  Nb75  1  0.041064  0.444870  0.608124  1
  Nb  Nb76  1  0.518339  0.036678  0.596872  1
  Nb  Nb77  1  0.958971  0.278118  0.566957  1
  Nb  Nb78  1  0.319184  0.278174  0.566956  1
  Nb  Nb79  1  0.842847  0.685708  0.578802  1
  Nb  Nb80  1  0.435755  0.871518  0.555278  1
  Nb  Nb81  1  0.278077  0.556084  0.688288  1
  Nb  Nb82  1  0.662293  0.530675  0.629555  1
  Nb  Nb83  1  0.868369  0.530667  0.629556  1
  Nb  Nb84  1  0.416427  0.832883  0.654085  1
  Nb  Nb85  1  0.057501  0.429349  0.700727  1
  Nb  Nb86  1  0.842999  0.091103  0.683326  1
  Nb  Nb87  1  0.856709  0.306102  0.657969  1
  Nb  Nb88  1  0.648574  0.966604  0.637644  1
  Nb  Nb89  1  0.248094  0.091066  0.683327  1
  Nb  Nb90  1  0.449441  0.306099  0.657975  1
  Nb  Nb91  1  0.371859  0.429397  0.700733  1
  Nb  Nb92  1  0.318018  0.966552  0.637644  1
  Nb  Nb93  1  0.098667  0.197311  0.700577  1
  Nb  Nb94  1  0.564274  0.775666  0.690177  1
  Nb  Nb95  1  0.211406  0.775666  0.690172  1
  Nb  Nb96  1  0.687550  0.375117  0.678185  1
  Nb  Nb97  1  0.127524  0.614970  0.651168  1
  Nb  Nb98  1  0.487748  0.615386  0.651125  1
  Nb  Nb99  1  0.007854  0.015704  0.663557  1
  Nb  Nb100  1  0.605717  0.211418  0.639655  1
  Al  Al101  1  0.178616  0.357040  0.337895  1
  Al  Al102  1  0.602852  0.205868  0.301975  1
  Al  Al103  1  0.409530  0.486860  0.320853  1
  Al  Al104  1  0.583178  0.968149  0.325410  1
  Al  Al105  1  0.773530  0.744647  0.351800  1
  Al  Al106  1  0.945009  0.229622  0.355947  1
  Al  Al107  1  0.382444  0.970352  0.324935  1
  Al  Al108  1  0.971172  0.744520  0.351804  1
  Al  Al109  1  0.077989  0.486190  0.320544  1
  Al  Al110  1  0.285206  0.230084  0.356070  1
  Al  Al111  1  0.345809  0.691617  0.420578  1
  Al  Al112  1  0.761804  0.523571  0.378519  1
  Al  Al113  1  0.576455  0.823211  0.404060  1
  Al  Al114  1  0.750381  0.303588  0.406265  1
  Al  Al115  1  0.939893  0.078225  0.434916  1
  Al  Al116  1  0.114752  0.559160  0.437010  1
  Al  Al117  1  0.553239  0.303582  0.406176  1
  Al  Al118  1  0.138328  0.078213  0.434916  1
  Al  Al119  1  0.246777  0.823224  0.404056  1
  Al  Al120  1  0.444373  0.559145  0.436988  1
  Al  Al121  1  0.513003  0.026005  0.504174  1
  Al  Al122  1  0.929332  0.858661  0.462528  1
  Al  Al123  1  0.744389  0.158206  0.487677  1
  Al  Al124  1  0.918330  0.638500  0.490023  1
  Al  Al125  1  0.107630  0.413437  0.518347  1
  Al  Al126  1  0.281591  0.893869  0.520651  1
  Al  Al127  1  0.720170  0.638511  0.490018  1
  Al  Al128  1  0.305823  0.413423  0.518359  1
  Al  Al129  1  0.413806  0.158197  0.487676  1
  Al  Al130  1  0.612279  0.893871  0.520651  1
  Al  Al131  1  0.680327  0.360649  0.587720  1
  Al  Al132  1  0.096627  0.193248  0.545808  1
  Al  Al133  1  0.911417  0.492782  0.571306  1
  Al  Al134  1  0.086160  0.973890  0.573444  1
  Al  Al135  1  0.275548  0.748149  0.602017  1
  Al  Al136  1  0.450130  0.229316  0.604478  1
  Al  Al137  1  0.887776  0.974019  0.573449  1
  Al  Al138  1  0.472492  0.748146  0.602000  1
  Al  Al139  1  0.581337  0.492773  0.571312  1
  Al  Al140  1  0.779172  0.229314  0.604477  1
  Al  Al141  1  0.843111  0.686213  0.668616  1
  Al  Al142  1  0.264128  0.528259  0.629674  1
  Al  Al143  1  0.081932  0.831078  0.653288  1
  Al  Al144  1  0.252631  0.308067  0.656221  1
  Al  Al145  1  0.435159  0.077687  0.683423  1
  Al  Al146  1  0.609272  0.559386  0.685859  1
  Al  Al147  1  0.055694  0.307875  0.656219  1
  Al  Al148  1  0.642547  0.077724  0.683422  1
  Al  Al149  1  0.749175  0.831113  0.653291  1
  Al  Al150  1  0.950101  0.559373  0.685859  1
