# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99244446
_cell_length_b   22.30628108
_cell_length_c   53.53808442
_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   'Nb120 Al60'
_cell_volume   5962.15470733
_cell_formula_units_Z   60
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  0.501285  0.078440  0.308594  1
  Nb  Nb2  1  0.501285  0.477739  0.392266  1
  Nb  Nb3  1  0.001285  0.860263  0.367727  1
  Nb  Nb4  1  1.001285  0.460530  0.284595  1
  Nb  Nb5  1  0.001285  0.736449  0.384949  1
  Nb  Nb6  1  1.001285  0.336632  0.301100  1
  Nb  Nb7  1  0.501285  0.718125  0.277634  1
  Nb  Nb8  1  0.501285  0.118928  0.360391  1
  Nb  Nb9  1  0.501285  0.156816  0.271049  1
  Nb  Nb10  1  0.501285  0.557098  0.353645  1
  Nb  Nb11  1  0.001285  0.952871  0.400844  1
  Nb  Nb12  1  1.001285  0.552101  0.317014  1
  Nb  Nb13  1  1.001285  0.643845  0.351877  1
  Nb  Nb14  1  1.001285  0.243985  0.270249  1
  Nb  Nb15  1  0.501285  0.640007  0.315250  1
  Nb  Nb16  1  0.501285  0.039581  0.399070  1
  Nb  Nb17  1  0.001285  0.911176  0.269256  1
  Nb  Nb18  1  0.001285  0.310038  0.351083  1
  Nb  Nb19  1  0.001285  0.886675  0.317453  1
  Nb  Nb20  1  1.001285  0.286675  0.401482  1
  Nb  Nb21  1  0.501285  0.957709  0.297132  1
  Nb  Nb22  1  0.501285  0.358590  0.381238  1
  Nb  Nb23  1  0.501285  0.838353  0.288091  1
  Nb  Nb24  1  0.501285  0.238036  0.371493  1
  Nb  Nb25  1  0.746746  0.034301  0.255759  1
  Nb  Nb26  1  0.754473  0.433909  0.338357  1
  Nb  Nb27  1  0.253099  0.990347  0.349607  1
  Nb  Nb28  1  0.251889  0.590117  0.266606  1
  Nb  Nb29  1  0.252935  0.606321  0.403033  1
  Nb  Nb30  1  0.252690  0.206532  0.319282  1
  Nb  Nb31  1  0.752444  0.762459  0.331261  1
  Nb  Nb32  1  0.752957  0.162345  0.414705  1
  Nb  Nb33  1  0.749635  0.606321  0.403033  1
  Nb  Nb34  1  0.749880  0.206532  0.319282  1
  Nb  Nb35  1  0.749472  0.990347  0.349607  1
  Nb  Nb36  1  0.750681  0.590117  0.266606  1
  Nb  Nb37  1  0.255825  0.034301  0.255759  1
  Nb  Nb38  1  0.248097  0.433909  0.338357  1
  Nb  Nb39  1  0.250127  0.762459  0.331261  1
  Nb  Nb40  1  0.249614  0.162345  0.414705  1
  Nb  Nb41  1  0.501285  0.877726  0.475598  1
  Nb  Nb42  1  0.501285  0.277720  0.558932  1
  Nb  Nb43  1  1.001285  0.660211  0.534446  1
  Nb  Nb44  1  1.001285  0.260209  0.451111  1
  Nb  Nb45  1  1.001285  0.536479  0.551633  1
  Nb  Nb46  1  0.001285  0.136478  0.468297  1
  Nb  Nb47  1  0.501285  0.518911  0.443799  1
  Nb  Nb48  1  0.501285  0.918963  0.527145  1
  Nb  Nb49  1  0.501285  0.957106  0.436995  1
  Nb  Nb50  1  0.501285  0.357110  0.520329  1
  Nb  Nb51  1  0.001285  0.752841  0.567541  1
  Nb  Nb52  1  0.001285  0.352847  0.484191  1
  Nb  Nb53  1  1.001285  0.443841  0.518553  1
  Nb  Nb54  1  1.001285  0.043847  0.435202  1
  Nb  Nb55  1  0.501285  0.439579  0.482414  1
  Nb  Nb56  1  0.501285  0.839583  0.565748  1
  Nb  Nb57  1  1.001285  0.710006  0.434584  1
  Nb  Nb58  1  1.001285  0.110002  0.517918  1
  Nb  Nb59  1  0.001285  0.686686  0.484825  1
  Nb  Nb60  1  0.001285  0.086682  0.568160  1
  Nb  Nb61  1  0.501285  0.758626  0.464557  1
  Nb  Nb62  1  0.501285  0.158623  0.547898  1
  Nb  Nb63  1  0.501285  0.638065  0.454846  1
  Nb  Nb64  1  0.501285  0.038062  0.538187  1
  Nb  Nb65  1  0.752941  0.834365  0.421352  1
  Nb  Nb66  1  0.752953  0.234341  0.504701  1
  Nb  Nb67  1  0.252954  0.790351  0.516370  1
  Nb  Nb68  1  0.252930  0.390363  0.433031  1
  Nb  Nb69  1  0.252940  0.406330  0.569710  1
  Nb  Nb70  1  0.252954  0.006338  0.486373  1
  Nb  Nb71  1  0.752952  0.562348  0.498043  1
  Nb  Nb72  1  0.752933  0.962333  0.581393  1
  Nb  Nb73  1  0.749631  0.406330  0.569710  1
  Nb  Nb74  1  0.749616  0.006338  0.486373  1
  Nb  Nb75  1  0.749617  0.790351  0.516370  1
  Nb  Nb76  1  0.749641  0.390363  0.433031  1
  Nb  Nb77  1  0.249629  0.834365  0.421352  1
  Nb  Nb78  1  0.249618  0.234341  0.504701  1
  Nb  Nb79  1  0.249618  0.562348  0.498043  1
  Nb  Nb80  1  0.249637  0.962333  0.581393  1
  Nb  Nb81  1  0.501285  0.677760  0.642353  1
  Nb  Nb82  1  0.501285  0.078196  0.724082  1
  Nb  Nb83  1  0.001285  0.460110  0.701701  1
  Nb  Nb84  1  1.001285  0.060234  0.617793  1
  Nb  Nb85  1  0.001285  0.336151  0.718152  1
  Nb  Nb86  1  1.001285  0.936409  0.635016  1
  Nb  Nb87  1  0.501285  0.318949  0.610478  1
  Nb  Nb88  1  0.501285  0.718250  0.694149  1
  Nb  Nb89  1  0.501285  0.757108  0.603673  1
  Nb  Nb90  1  0.501285  0.156606  0.687426  1
  Nb  Nb91  1  1.001285  0.552702  0.732495  1
  Nb  Nb92  1  0.001285  0.152823  0.650900  1
  Nb  Nb93  1  0.001285  0.244538  0.685753  1
  Nb  Nb94  1  0.001285  0.843818  0.601900  1
  Nb  Nb95  1  0.501285  0.239603  0.649092  1
  Nb  Nb96  1  0.501285  0.639872  0.731694  1
  Nb  Nb97  1  0.001285  0.510013  0.601261  1
  Nb  Nb98  1  1.001285  0.910133  0.685341  1
  Nb  Nb99  1  1.001285  0.486650  0.651660  1
  Nb  Nb100  1  0.001285  0.885669  0.733460  1
  Nb  Nb101  1  0.501285  0.558652  0.631251  1
  Nb  Nb102  1  0.501285  0.958384  0.714554  1
  Nb  Nb103  1  0.501285  0.438099  0.621506  1
  Nb  Nb104  1  0.501285  0.838966  0.705611  1
  Nb  Nb105  1  0.752957  0.634344  0.588038  1
  Nb  Nb106  1  0.752518  0.034211  0.671484  1
  Nb  Nb107  1  0.252690  0.590157  0.683461  1
  Nb  Nb108  1  0.252936  0.190362  0.599710  1
  Nb  Nb109  1  0.254116  0.207684  0.735791  1
  Nb  Nb110  1  0.253091  0.806344  0.653137  1
  Nb  Nb111  1  0.754474  0.362775  0.664387  1
  Nb  Nb112  1  0.746749  0.762390  0.746984  1
  Nb  Nb113  1  0.748454  0.207684  0.735791  1
  Nb  Nb114  1  0.749480  0.806344  0.653137  1
  Nb  Nb115  1  0.749880  0.590157  0.683461  1
  Nb  Nb116  1  0.749634  0.190362  0.599710  1
  Nb  Nb117  1  0.249614  0.634344  0.588038  1
  Nb  Nb118  1  0.250053  0.034211  0.671484  1
  Nb  Nb119  1  0.248097  0.362775  0.664387  1
  Nb  Nb120  1  0.255821  0.762390  0.746984  1
  Al  Al121  1  0.501285  0.798344  0.376370  1
  Al  Al122  1  0.501285  0.398632  0.292999  1
  Al  Al123  1  0.001285  0.098393  0.334612  1
  Al  Al124  1  0.001285  0.695595  0.252481  1
  Al  Al125  1  0.501285  0.718832  0.414861  1
  Al  Al126  1  0.501285  0.318968  0.331661  1
  Al  Al127  1  1.001285  0.005692  0.301500  1
  Al  Al128  1  1.001285  0.405673  0.384909  1
  Al  Al129  1  0.001285  0.790969  0.284462  1
  Al  Al130  1  1.001285  0.190995  0.367711  1
  Al  Al131  1  0.501285  0.877742  0.337743  1
  Al  Al132  1  0.501285  0.480108  0.255050  1
  Al  Al133  1  1.001285  0.124813  0.284972  1
  Al  Al134  1  0.001285  0.524805  0.368381  1
  Al  Al135  1  1.001285  0.671602  0.301133  1
  Al  Al136  1  1.001285  0.072280  0.384009  1
  Al  Al137  1  0.501285  0.917467  0.387372  1
  Al  Al138  1  0.501285  0.517611  0.303977  1
  Al  Al139  1  0.501285  0.679245  0.365315  1
  Al  Al140  1  0.501285  0.279523  0.282028  1
  Al  Al141  1  0.501285  0.598343  0.543037  1
  Al  Al142  1  0.501285  0.198346  0.459707  1
  Al  Al143  1  0.001285  0.898344  0.501372  1
  Al  Al144  1  0.001285  0.498342  0.418035  1
  Al  Al145  1  0.501285  0.518905  0.581646  1
  Al  Al146  1  0.501285  0.118899  0.498308  1
  Al  Al147  1  1.001285  0.805679  0.468270  1
  Al  Al148  1  1.001285  0.205672  0.551601  1
  Al  Al149  1  0.001285  0.591018  0.451143  1
  Al  Al150  1  1.001285  0.991009  0.534473  1
  Al  Al151  1  0.501285  0.677790  0.504435  1
  Al  Al152  1  0.501285  0.277784  0.421097  1
  Al  Al153  1  1.001285  0.924807  0.451726  1
  Al  Al154  1  1.001285  0.324801  0.535059  1
  Al  Al155  1  0.001285  0.471884  0.467685  1
  Al  Al156  1  1.001285  0.871882  0.551017  1
  Al  Al157  1  0.501285  0.717496  0.554066  1
  Al  Al158  1  0.501285  0.317495  0.470728  1
  Al  Al159  1  0.501285  0.479194  0.532016  1
  Al  Al160  1  0.501285  0.079192  0.448677  1
  Al  Al161  1  0.501285  0.398040  0.709745  1
  Al  Al162  1  0.501285  0.998339  0.626369  1
  Al  Al163  1  0.001285  0.698296  0.668132  1
  Al  Al164  1  0.001285  0.298346  0.584708  1
  Al  Al165  1  0.501285  0.316521  0.747689  1
  Al  Al166  1  0.501285  0.918947  0.665003  1
  Al  Al167  1  1.001285  0.605696  0.635032  1
  Al  Al168  1  0.001285  0.006716  0.718442  1
  Al  Al169  1  1.001285  0.391030  0.617798  1
  Al  Al170  1  1.001285  0.790997  0.701244  1
  Al  Al171  1  0.501285  0.477712  0.671085  1
  Al  Al172  1  0.501285  0.077856  0.587888  1
  Al  Al173  1  0.001285  0.724409  0.618734  1
  Al  Al174  1  0.001285  0.124911  0.702135  1
  Al  Al175  1  1.001285  0.271871  0.634352  1
  Al  Al176  1  0.001285  0.671875  0.717772  1
  Al  Al177  1  0.501285  0.517156  0.720718  1
  Al  Al178  1  0.501285  0.117427  0.637442  1
  Al  Al179  1  0.501285  0.279137  0.698756  1
  Al  Al180  1  0.501285  0.879217  0.615369  1
