# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96974807
_cell_length_b   14.11883369
_cell_length_c   49.41874834
_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   6956.24305309
_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  0.102801  0.073541  0.336895  1
  Nb  Nb2  1  0.103437  0.324867  0.409097  1
  Nb  Nb3  1  0.396075  0.699670  0.373380  1
  Nb  Nb4  1  0.393697  0.448515  0.303687  1
  Nb  Nb5  1  0.601807  0.803000  0.343248  1
  Nb  Nb6  1  0.603340  0.053313  0.415448  1
  Nb  Nb7  1  0.894265  0.174263  0.309316  1
  Nb  Nb8  1  0.898185  0.427138  0.379526  1
  Nb  Nb9  1  0.037061  0.943058  0.375101  1
  Nb  Nb10  1  0.034423  0.687604  0.306697  1
  Nb  Nb11  1  0.133450  0.731674  0.363649  1
  Nb  Nb12  1  0.149315  0.479727  0.295981  1
  Nb  Nb13  1  0.867423  0.768038  0.352675  1
  Nb  Nb14  1  0.867864  0.020044  0.424759  1
  Nb  Nb15  1  0.963181  0.810224  0.413227  1
  Nb  Nb16  1  0.964893  0.562111  0.340537  1
  Nb  Nb17  1  0.537655  0.930000  0.308496  1
  Nb  Nb18  1  0.537356  0.184268  0.377314  1
  Nb  Nb19  1  0.463381  0.567359  0.411224  1
  Nb  Nb20  1  0.461996  0.316704  0.338610  1
  Nb  Nb21  1  0.366845  0.106007  0.327733  1
  Nb  Nb22  1  0.367831  0.357544  0.399614  1
  Nb  Nb23  1  0.638180  0.143891  0.317322  1
  Nb  Nb24  1  0.632835  0.394595  0.389009  1
  Nb  Nb25  1  0.320947  0.900965  0.349707  1
  Nb  Nb26  1  0.320511  0.153366  0.422124  1
  Nb  Nb27  1  0.179992  0.275396  0.315103  1
  Nb  Nb28  1  0.180014  0.527540  0.386261  1
  Nb  Nb29  1  0.820278  0.097289  0.365983  1
  Nb  Nb30  1  0.824874  0.847332  0.297895  1
  Nb  Nb31  1  0.680329  0.722795  0.401903  1
  Nb  Nb32  1  0.677955  0.468400  0.330004  1
  Nb  Nb33  1  0.815872  0.971966  0.329192  1
  Nb  Nb34  1  0.820054  0.223947  0.402288  1
  Nb  Nb35  1  0.180350  0.654313  0.422311  1
  Nb  Nb36  1  0.181106  0.400910  0.349697  1
  Nb  Nb37  1  0.319727  0.029485  0.386278  1
  Nb  Nb38  1  0.322152  0.779570  0.316132  1
  Nb  Nb39  1  0.673900  0.344507  0.297769  1
  Nb  Nb40  1  0.681350  0.597845  0.366036  1
  Nb  Nb41  1  0.103277  0.575613  0.480547  1
  Nb  Nb42  1  0.103283  0.826413  0.552102  1
  Nb  Nb43  1  0.397323  0.201024  0.516354  1
  Nb  Nb44  1  0.397715  0.950021  0.444864  1
  Nb  Nb45  1  0.603290  0.303786  0.486936  1
  Nb  Nb46  1  0.602954  0.554762  0.558391  1
  Nb  Nb47  1  0.897335  0.678398  0.451189  1
  Nb  Nb48  1  0.897343  0.929198  0.522754  1
  Nb  Nb49  1  0.037410  0.443813  0.518444  1
  Nb  Nb50  1  0.037295  0.192991  0.447043  1
  Nb  Nb51  1  0.132774  0.233896  0.506945  1
  Nb  Nb52  1  0.132900  0.982855  0.435447  1
  Nb  Nb53  1  0.867844  0.270906  0.496342  1
  Nb  Nb54  1  0.867658  0.521990  0.567818  1
  Nb  Nb55  1  0.963343  0.311783  0.556220  1
  Nb  Nb56  1  0.963207  0.060995  0.484846  1
  Nb  Nb57  1  0.537413  0.435552  0.449096  1
  Nb  Nb58  1  0.537480  0.686543  0.520677  1
  Nb  Nb59  1  0.463199  0.069258  0.554192  1
  Nb  Nb60  1  0.463136  0.818273  0.482616  1
  Nb  Nb61  1  0.367974  0.608648  0.471180  1
  Nb  Nb62  1  0.368076  0.859213  0.542720  1
  Nb  Nb63  1  0.632558  0.645589  0.460574  1
  Nb  Nb64  1  0.632636  0.896159  0.532112  1
  Nb  Nb65  1  0.320164  0.404422  0.493651  1
  Nb  Nb66  1  0.320250  0.655433  0.565219  1
  Nb  Nb67  1  0.180364  0.778910  0.457892  1
  Nb  Nb68  1  0.180464  0.029731  0.529445  1
  Nb  Nb69  1  0.820174  0.599503  0.509393  1
  Nb  Nb70  1  0.820236  0.348621  0.437850  1
  Nb  Nb71  1  0.680352  0.225013  0.545163  1
  Nb  Nb72  1  0.680455  0.974022  0.473660  1
  Nb  Nb73  1  0.820148  0.475066  0.473849  1
  Nb  Nb74  1  0.820252  0.725909  0.545400  1
  Nb  Nb75  1  0.180377  0.156160  0.565442  1
  Nb  Nb76  1  0.180446  0.905304  0.493896  1
  Nb  Nb77  1  0.320172  0.530796  0.529630  1
  Nb  Nb78  1  0.320242  0.279806  0.458128  1
  Nb  Nb79  1  0.680399  0.849383  0.438073  1
  Nb  Nb80  1  0.680446  0.100386  0.509638  1
  Nb  Nb81  1  0.102451  0.077705  0.623754  1
  Nb  Nb82  1  0.108599  0.328056  0.693438  1
  Nb  Nb83  1  0.399081  0.702046  0.660066  1
  Nb  Nb84  1  0.397305  0.451514  0.587839  1
  Nb  Nb85  1  0.604473  0.805260  0.629927  1
  Nb  Nb86  1  0.606916  0.056374  0.699580  1
  Nb  Nb87  1  0.897127  0.179863  0.594184  1
  Nb  Nb88  1  0.896907  0.430650  0.665675  1
  Nb  Nb89  1  0.035710  0.942728  0.662745  1
  Nb  Nb90  1  0.037447  0.694619  0.590050  1
  Nb  Nb91  1  0.132751  0.736592  0.650648  1
  Nb  Nb92  1  0.132768  0.484761  0.578517  1
  Nb  Nb93  1  0.867341  0.772725  0.639752  1
  Nb  Nb94  1  0.851307  0.025111  0.707312  1
  Nb  Nb95  1  0.966147  0.817832  0.696474  1
  Nb  Nb96  1  0.963162  0.561764  0.628007  1
  Nb  Nb97  1  0.537232  0.937443  0.592068  1
  Nb  Nb98  1  0.538665  0.188078  0.664670  1
  Nb  Nb99  1  0.464301  0.574569  0.694855  1
  Nb  Nb100  1  0.463251  0.320537  0.625959  1
  Nb  Nb101  1  0.367802  0.110197  0.614277  1
  Nb  Nb102  1  0.362469  0.359874  0.685835  1
  Nb  Nb103  1  0.632756  0.147240  0.603667  1
  Nb  Nb104  1  0.633846  0.399213  0.675522  1
  Nb  Nb105  1  0.319067  0.906964  0.637232  1
  Nb  Nb106  1  0.326618  0.160352  0.705535  1
  Nb  Nb107  1  0.180546  0.280868  0.600982  1
  Nb  Nb108  1  0.188378  0.533657  0.673738  1
  Nb  Nb109  1  0.819541  0.103801  0.653541  1
  Nb  Nb110  1  0.820298  0.850494  0.580989  1
  Nb  Nb111  1  0.676973  0.726177  0.686999  1
  Nb  Nb112  1  0.680880  0.475287  0.617008  1
  Nb  Nb113  1  0.820611  0.977197  0.617017  1
  Nb  Nb114  1  0.820425  0.228991  0.687996  1
  Nb  Nb115  1  0.177090  0.658463  0.704338  1
  Nb  Nb116  1  0.180305  0.407356  0.637163  1
  Nb  Nb117  1  0.322599  0.036414  0.673271  1
  Nb  Nb118  1  0.320347  0.782001  0.601394  1
  Nb  Nb119  1  0.680101  0.351410  0.581154  1
  Nb  Nb120  1  0.679580  0.603935  0.653608  1
  Al  Al121  1  0.500005  0.876489  0.394193  1
  Al  Al122  1  0.498938  0.630948  0.323393  1
  Al  Al123  1  0.990876  0.005816  0.291848  1
  Al  Al124  1  0.999437  0.249151  0.359072  1
  Al  Al125  1  0.566406  0.008207  0.356548  1
  Al  Al126  1  0.566582  0.258984  0.428069  1
  Al  Al127  1  0.268725  0.969294  0.299405  1
  Al  Al128  1  0.265482  0.216608  0.368304  1
  Al  Al129  1  0.735351  0.534480  0.420658  1
  Al  Al130  1  0.735090  0.282845  0.349364  1
  Al  Al131  1  0.433654  0.246601  0.292465  1
  Al  Al132  1  0.435252  0.494028  0.360945  1
  Al  Al133  1  0.067489  0.866402  0.325957  1
  Al  Al134  1  0.069545  0.119526  0.397290  1
  Al  Al135  1  0.933942  0.633639  0.392272  1
  Al  Al136  1  0.934257  0.383060  0.320820  1
  Al  Al137  1  0.235767  0.843417  0.403645  1
  Al  Al138  1  0.234982  0.591736  0.332538  1
  Al  Al139  1  0.764480  0.909188  0.384669  1
  Al  Al140  1  0.764692  0.656495  0.313782  1
  Al  Al141  1  0.500350  0.377817  0.537365  1
  Al  Al142  1  0.500274  0.126992  0.465927  1
  Al  Al143  1  1.000250  0.501625  0.430220  1
  Al  Al144  1  0.000308  0.752405  0.501645  1
  Al  Al145  1  0.566378  0.509941  0.499566  1
  Al  Al146  1  0.566753  0.760745  0.571698  1
  Al  Al147  1  0.265168  0.468557  0.439635  1
  Al  Al148  1  0.265141  0.719384  0.511117  1
  Al  Al149  1  0.735438  0.036242  0.563656  1
  Al  Al150  1  0.735474  0.785430  0.492175  1
  Al  Al151  1  0.433983  0.744057  0.431590  1
  Al  Al152  1  0.434227  0.994867  0.503717  1
  Al  Al153  1  0.066291  0.369412  0.467913  1
  Al  Al154  1  0.066616  0.620290  0.539464  1
  Al  Al155  1  0.934277  0.135380  0.535370  1
  Al  Al156  1  0.934014  0.884518  0.463827  1
  Al  Al157  1  0.235310  0.344767  0.546820  1
  Al  Al158  1  0.235494  0.093910  0.475388  1
  Al  Al159  1  0.765128  0.410897  0.527896  1
  Al  Al160  1  0.765287  0.160059  0.456464  1
  Al  Al161  1  0.501595  0.873887  0.679906  1
  Al  Al162  1  0.500580  0.628299  0.609107  1
  Al  Al163  1  0.000370  0.003181  0.573073  1
  Al  Al164  1  0.001159  0.255231  0.644084  1
  Al  Al165  1  0.565538  0.011022  0.642337  1
  Al  Al166  1  0.566993  0.258239  0.710813  1
  Al  Al167  1  0.265304  0.970319  0.582635  1
  Al  Al168  1  0.265623  0.221744  0.653888  1
  Al  Al169  1  0.734753  0.533756  0.703053  1
  Al  Al170  1  0.735026  0.288160  0.634919  1
  Al  Al171  1  0.434039  0.245836  0.575221  1
  Al  Al172  1  0.434517  0.496598  0.646728  1
  Al  Al173  1  0.066737  0.871132  0.611021  1
  Al  Al174  1  0.066368  0.121848  0.682466  1
  Al  Al175  1  0.934660  0.636425  0.677907  1
  Al  Al176  1  0.930490  0.385023  0.605813  1
  Al  Al177  1  0.235815  0.848471  0.689513  1
  Al  Al178  1  0.236179  0.595685  0.618578  1
  Al  Al179  1  0.765418  0.912800  0.670743  1
  Al  Al180  1  0.764913  0.661389  0.599630  1
