# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96500651
_cell_length_b   35.96277073
_cell_length_c   58.11125912
_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   10376.0785722
_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  0.504056  0.914799  0.357038  1
  Nb  Nb2  1  0.504056  0.529753  0.404687  1
  Nb  Nb3  1  0.504056  0.298329  0.309039  1
  Nb  Nb4  1  0.004056  0.769847  0.400460  1
  Nb  Nb5  1  1.004056  0.537842  0.306629  1
  Nb  Nb6  1  0.004056  0.154280  0.352409  1
  Nb  Nb7  1  1.004056  0.690192  0.410335  1
  Nb  Nb8  1  1.004056  0.459491  0.316154  1
  Nb  Nb9  1  1.004056  0.074807  0.362745  1
  Nb  Nb10  1  0.504056  0.698187  0.311696  1
  Nb  Nb11  1  0.504056  0.313850  0.359281  1
  Nb  Nb12  1  0.504056  0.930147  0.406214  1
  Nb  Nb13  1  0.504056  0.971612  0.323482  1
  Nb  Nb14  1  0.504056  0.585793  0.373156  1
  Nb  Nb15  1  0.504056  0.200994  0.420853  1
  Nb  Nb16  1  0.004056  0.976786  0.295367  1
  Nb  Nb17  1  1.004056  0.588955  0.338971  1
  Nb  Nb18  1  1.004056  0.205333  0.387531  1
  Nb  Nb19  1  1.004056  0.639490  0.375759  1
  Nb  Nb20  1  1.004056  0.254824  0.423349  1
  Nb  Nb21  1  0.004056  0.023231  0.325896  1
  Nb  Nb22  1  0.504056  0.644273  0.341534  1
  Nb  Nb23  1  0.504056  0.258905  0.390037  1
  Nb  Nb24  1  0.504056  0.025013  0.297655  1
  Nb  Nb25  1  1.004056  0.819446  0.312714  1
  Nb  Nb26  1  1.004056  0.434356  0.358101  1
  Nb  Nb27  1  1.004056  0.049453  0.406802  1
  Nb  Nb28  1  1.004056  0.795356  0.355493  1
  Nb  Nb29  1  0.004056  0.410470  0.404026  1
  Nb  Nb30  1  1.004056  0.180213  0.310129  1
  Nb  Nb31  1  0.504056  0.842471  0.340306  1
  Nb  Nb32  1  0.504056  0.458585  0.388936  1
  Nb  Nb33  1  0.504056  0.231006  0.296746  1
  Nb  Nb34  1  0.504056  0.770796  0.326317  1
  Nb  Nb35  1  0.504056  0.385797  0.374151  1
  Nb  Nb36  1  0.504056  0.001413  0.421955  1
  Nb  Nb37  1  0.748859  0.897828  0.306380  1
  Nb  Nb38  1  0.757000  0.514127  0.353498  1
  Nb  Nb39  1  0.755731  0.128510  0.400530  1
  Nb  Nb40  1  0.255680  0.853148  0.390198  1
  Nb  Nb41  1  0.250584  0.622984  0.295806  1
  Nb  Nb42  1  0.255865  0.237357  0.342168  1
  Nb  Nb43  1  0.255506  0.606894  0.420704  1
  Nb  Nb44  1  0.256410  0.376080  0.324374  1
  Nb  Nb45  1  0.255611  0.991563  0.372953  1
  Nb  Nb46  1  0.755239  0.716297  0.362467  1
  Nb  Nb47  1  0.755660  0.331583  0.410270  1
  Nb  Nb48  1  0.767614  0.100632  0.315409  1
  Nb  Nb49  1  0.752605  0.606894  0.420704  1
  Nb  Nb50  1  0.751701  0.376080  0.324374  1
  Nb  Nb51  1  0.752500  0.991563  0.372953  1
  Nb  Nb52  1  0.752431  0.853148  0.390198  1
  Nb  Nb53  1  0.757527  0.622984  0.295806  1
  Nb  Nb54  1  0.752246  0.237357  0.342168  1
  Nb  Nb55  1  0.259252  0.897828  0.306380  1
  Nb  Nb56  1  0.251112  0.514127  0.353498  1
  Nb  Nb57  1  0.252380  0.128510  0.400530  1
  Nb  Nb58  1  0.252872  0.716297  0.362467  1
  Nb  Nb59  1  0.252451  0.331583  0.410270  1
  Nb  Nb60  1  0.240497  0.100632  0.315409  1
  Nb  Nb61  1  0.504056  0.760507  0.499929  1
  Nb  Nb62  1  0.504056  0.375914  0.547534  1
  Nb  Nb63  1  0.504056  0.145124  0.452295  1
  Nb  Nb64  1  1.004056  0.615910  0.543407  1
  Nb  Nb65  1  1.004056  0.385157  0.448167  1
  Nb  Nb66  1  0.004056  0.000548  0.495798  1
  Nb  Nb67  1  1.004056  0.536366  0.553261  1
  Nb  Nb68  1  0.004056  0.305619  0.458039  1
  Nb  Nb69  1  1.004056  0.920981  0.505649  1
  Nb  Nb70  1  0.504056  0.545614  0.453914  1
  Nb  Nb71  1  0.504056  0.161022  0.501518  1
  Nb  Nb72  1  0.504056  0.776405  0.549152  1
  Nb  Nb73  1  0.504056  0.816429  0.468472  1
  Nb  Nb74  1  0.504056  0.431814  0.516100  1
  Nb  Nb75  1  0.504056  0.047204  0.563733  1
  Nb  Nb76  1  0.004056  0.820541  0.435158  1
  Nb  Nb77  1  1.004056  0.435929  0.482803  1
  Nb  Nb78  1  1.004056  0.051306  0.530434  1
  Nb  Nb79  1  0.004056  0.485600  0.518644  1
  Nb  Nb80  1  0.004056  0.100989  0.566290  1
  Nb  Nb81  1  1.004056  0.870222  0.471013  1
  Nb  Nb82  1  0.504056  0.489715  0.485347  1
  Nb  Nb83  1  0.504056  0.105101  0.532974  1
  Nb  Nb84  1  0.504056  0.874325  0.437715  1
  Nb  Nb85  1  0.004056  0.664881  0.454452  1
  Nb  Nb86  1  0.004056  0.280253  0.502075  1
  Nb  Nb87  1  1.004056  0.895634  0.549707  1
  Nb  Nb88  1  1.004056  0.641276  0.499371  1
  Nb  Nb89  1  1.004056  0.256648  0.546995  1
  Nb  Nb90  1  1.004056  0.025897  0.451741  1
  Nb  Nb91  1  0.504056  0.689346  0.484190  1
  Nb  Nb92  1  0.504056  0.304713  0.531839  1
  Nb  Nb93  1  0.504056  0.073983  0.436607  1
  Nb  Nb94  1  0.504056  0.616816  0.469608  1
  Nb  Nb95  1  0.504056  0.232184  0.517258  1
  Nb  Nb96  1  0.504056  0.847546  0.564840  1
  Nb  Nb97  1  0.755450  0.743878  0.448265  1
  Nb  Nb98  1  0.755522  0.359227  0.495945  1
  Nb  Nb99  1  0.755498  0.974612  0.543576  1
  Nb  Nb100  1  0.255563  0.699222  0.533105  1
  Nb  Nb101  1  0.255466  0.468480  0.437839  1
  Nb  Nb102  1  0.255559  0.083838  0.485483  1
  Nb  Nb103  1  0.255463  0.453048  0.563609  1
  Nb  Nb104  1  0.255564  0.222308  0.468341  1
  Nb  Nb105  1  0.255559  0.837691  0.515964  1
  Nb  Nb106  1  0.755530  0.562298  0.505501  1
  Nb  Nb107  1  0.755353  0.177653  0.553211  1
  Nb  Nb108  1  0.755490  0.946916  0.457871  1
  Nb  Nb109  1  0.752648  0.453048  0.563609  1
  Nb  Nb110  1  0.752547  0.222308  0.468341  1
  Nb  Nb111  1  0.752552  0.837691  0.515964  1
  Nb  Nb112  1  0.752548  0.699222  0.533105  1
  Nb  Nb113  1  0.752645  0.468480  0.437839  1
  Nb  Nb114  1  0.752552  0.083838  0.485483  1
  Nb  Nb115  1  0.252661  0.743878  0.448265  1
  Nb  Nb116  1  0.252589  0.359227  0.495945  1
  Nb  Nb117  1  0.252613  0.974612  0.543576  1
  Nb  Nb118  1  0.252581  0.562298  0.505501  1
  Nb  Nb119  1  0.252758  0.177653  0.553211  1
  Nb  Nb120  1  0.252621  0.946916  0.457871  1
  Nb  Nb121  1  0.504056  0.607669  0.642173  1
  Nb  Nb122  1  0.504056  0.223273  0.687812  1
  Nb  Nb123  1  0.504056  0.991350  0.595220  1
  Nb  Nb124  1  0.004056  0.462088  0.685287  1
  Nb  Nb125  1  0.004056  0.231330  0.591053  1
  Nb  Nb126  1  1.004056  0.846722  0.638701  1
  Nb  Nb127  1  1.004056  0.383691  0.694836  1
  Nb  Nb128  1  0.004056  0.151669  0.600961  1
  Nb  Nb129  1  0.004056  0.767249  0.649038  1
  Nb  Nb130  1  0.504056  0.391774  0.596761  1
  Nb  Nb131  1  0.504056  0.006742  0.644413  1
  Nb  Nb132  1  0.504056  0.623217  0.692413  1
  Nb  Nb133  1  0.504056  0.662624  0.611409  1
  Nb  Nb134  1  0.504056  0.277240  0.659681  1
  Nb  Nb135  1  0.504056  0.896517  0.703792  1
  Nb  Nb136  1  0.004056  0.666705  0.578098  1
  Nb  Nb137  1  1.004056  0.281984  0.625771  1
  Nb  Nb138  1  0.004056  0.898298  0.675551  1
  Nb  Nb139  1  0.004056  0.332523  0.662467  1
  Nb  Nb140  1  0.004056  0.944745  0.706079  1
  Nb  Nb141  1  0.004056  0.716197  0.613916  1
  Nb  Nb142  1  0.504056  0.335779  0.628262  1
  Nb  Nb143  1  0.504056  0.949919  0.677965  1
  Nb  Nb144  1  0.504056  0.720535  0.580594  1
  Nb  Nb145  1  0.004056  0.511060  0.597421  1
  Nb  Nb146  1  1.004056  0.126329  0.646100  1
  Nb  Nb147  1  0.004056  0.741316  0.691318  1
  Nb  Nb148  1  1.004056  0.487172  0.643347  1
  Nb  Nb149  1  1.004056  0.102343  0.688678  1
  Nb  Nb150  1  1.004056  0.872077  0.594644  1
  Nb  Nb151  1  0.504056  0.535730  0.627297  1
  Nb  Nb152  1  0.504056  0.150789  0.674944  1
  Nb  Nb153  1  0.504056  0.920117  0.579492  1
  Nb  Nb154  1  0.504056  0.462944  0.612512  1
  Nb  Nb155  1  0.504056  0.079003  0.661130  1
  Nb  Nb156  1  0.504056  0.690523  0.704701  1
  Nb  Nb157  1  0.755653  0.589949  0.591174  1
  Nb  Nb158  1  0.755962  0.205201  0.638934  1
  Nb  Nb159  1  0.767613  0.820897  0.686037  1
  Nb  Nb160  1  0.256418  0.545449  0.677075  1
  Nb  Nb161  1  0.255483  0.314633  0.580746  1
  Nb  Nb162  1  0.255598  0.929981  0.628503  1
  Nb  Nb163  1  0.254025  0.299937  0.705034  1
  Nb  Nb164  1  0.255654  0.068399  0.611253  1
  Nb  Nb165  1  0.255891  0.684183  0.659271  1
  Nb  Nb166  1  0.757002  0.407409  0.647947  1
  Nb  Nb167  1  0.748853  0.023719  0.695066  1
  Nb  Nb168  1  0.755731  0.793019  0.600917  1
  Nb  Nb169  1  0.754086  0.299937  0.705034  1
  Nb  Nb170  1  0.752457  0.068399  0.611253  1
  Nb  Nb171  1  0.752220  0.684183  0.659271  1
  Nb  Nb172  1  0.751693  0.545449  0.677075  1
  Nb  Nb173  1  0.752628  0.314633  0.580746  1
  Nb  Nb174  1  0.752513  0.929981  0.628503  1
  Nb  Nb175  1  0.252458  0.589949  0.591174  1
  Nb  Nb176  1  0.252150  0.205201  0.638934  1
  Nb  Nb177  1  0.240498  0.820897  0.686037  1
  Nb  Nb178  1  0.251109  0.407409  0.647947  1
  Nb  Nb179  1  0.259258  0.023719  0.695066  1
  Nb  Nb180  1  0.252380  0.793019  0.600917  1
  Al  Al181  1  0.504056  0.729996  0.405470  1
  Al  Al182  1  0.504056  0.499629  0.310489  1
  Al  Al183  1  0.504056  0.114613  0.357543  1
  Al  Al184  1  1.004056  0.922298  0.381661  1
  Al  Al185  1  0.004056  0.687484  0.288288  1
  Al  Al186  1  0.004056  0.306916  0.333703  1
  Al  Al187  1  0.504056  0.827588  0.295675  1
  Al  Al188  1  0.504056  0.441278  0.342434  1
  Al  Al189  1  0.504056  0.059146  0.389653  1
  Al  Al190  1  0.004056  0.871338  0.346863  1
  Al  Al191  1  1.004056  0.486702  0.394550  1
  Al  Al192  1  0.004056  0.255008  0.299891  1
  Al  Al193  1  0.004056  0.743791  0.321206  1
  Al  Al194  1  1.004056  0.357556  0.368283  1
  Al  Al195  1  0.004056  0.973140  0.416566  1
  Al  Al196  1  0.504056  0.786117  0.373877  1
  Al  Al197  1  0.504056  0.401537  0.421574  1
  Al  Al198  1  0.504056  0.170552  0.326106  1
  Al  Al199  1  1.004056  0.947773  0.337408  1
  Al  Al200  1  1.004056  0.563195  0.385103  1
  Al  Al201  1  1.004056  0.333898  0.290730  1
  Al  Al202  1  0.004056  0.665800  0.331107  1
  Al  Al203  1  0.004056  0.282783  0.378037  1
  Al  Al204  1  1.004056  0.897067  0.425834  1
  Al  Al205  1  0.504056  0.801398  0.421153  1
  Al  Al206  1  0.504056  0.571074  0.325363  1
  Al  Al207  1  0.504056  0.186019  0.373537  1
  Al  Al208  1  0.504056  0.658636  0.389665  1
  Al  Al209  1  0.504056  0.426515  0.296302  1
  Al  Al210  1  0.504056  0.042943  0.342120  1
  Al  Al211  1  0.504056  0.576150  0.548338  1
  Al  Al212  1  0.504056  0.345379  0.453109  1
  Al  Al213  1  0.504056  0.960765  0.500723  1
  Al  Al214  1  1.004056  0.768456  0.524530  1
  Al  Al215  1  1.004056  0.537683  0.429281  1
  Al  Al216  1  0.004056  0.153074  0.476917  1
  Al  Al217  1  0.504056  0.673812  0.436807  1
  Al  Al218  1  0.504056  0.289236  0.484630  1
  Al  Al219  1  0.504056  0.904612  0.532244  1
  Al  Al220  1  1.004056  0.717519  0.489778  1
  Al  Al221  1  0.004056  0.332895  0.537384  1
  Al  Al222  1  1.004056  0.102144  0.442141  1
  Al  Al223  1  0.004056  0.588633  0.464063  1
  Al  Al224  1  1.004056  0.204010  0.511669  1
  Al  Al225  1  1.004056  0.819385  0.559306  1
  Al  Al226  1  0.504056  0.632305  0.516816  1
  Al  Al227  1  0.504056  0.247707  0.564617  1
  Al  Al228  1  0.504056  0.016918  0.469203  1
  Al  Al229  1  1.004056  0.793875  0.480331  1
  Al  Al230  1  0.004056  0.409244  0.527939  1
  Al  Al231  1  1.004056  0.178473  0.432695  1
  Al  Al232  1  0.004056  0.512280  0.473508  1
  Al  Al233  1  0.004056  0.127654  0.521117  1
  Al  Al234  1  1.004056  0.743056  0.568752  1
  Al  Al235  1  0.504056  0.647570  0.564082  1
  Al  Al236  1  0.504056  0.416822  0.468866  1
  Al  Al237  1  0.504056  0.032190  0.516453  1
  Al  Al238  1  0.504056  0.504707  0.532580  1
  Al  Al239  1  0.504056  0.273947  0.437367  1
  Al  Al240  1  0.504056  0.889339  0.484994  1
  Al  Al241  1  0.504056  0.421853  0.690966  1
  Al  Al242  1  0.504056  0.191521  0.595958  1
  Al  Al243  1  0.504056  0.806916  0.643904  1
  Al  Al244  1  1.004056  0.614614  0.667744  1
  Al  Al245  1  0.004056  0.383846  0.572166  1
  Al  Al246  1  0.004056  0.999236  0.619788  1
  Al  Al247  1  0.504056  0.519991  0.579872  1
  Al  Al248  1  0.504056  0.135518  0.627624  1
  Al  Al249  1  0.504056  0.750977  0.675341  1
  Al  Al250  1  1.004056  0.563973  0.633176  1
  Al  Al251  1  1.004056  0.178974  0.680664  1
  Al  Al252  1  1.004056  0.948354  0.584852  1
  Al  Al253  1  0.004056  0.434827  0.606898  1
  Al  Al254  1  0.004056  0.050197  0.654608  1
  Al  Al255  1  0.004056  0.666519  0.701561  1
  Al  Al256  1  0.504056  0.480241  0.659016  1
  Al  Al257  1  0.504056  0.093994  0.705754  1
  Al  Al258  1  0.504056  0.862383  0.611794  1
  Al  Al259  1  0.004056  0.638750  0.623414  1
  Al  Al260  1  0.004056  0.255282  0.671617  1
  Al  Al261  1  0.004056  0.024472  0.575617  1
  Al  Al262  1  1.004056  0.358331  0.616345  1
  Al  Al263  1  1.004056  0.973751  0.664028  1
  Al  Al264  1  1.004056  0.587672  0.710731  1
  Al  Al265  1  0.504056  0.495023  0.705142  1
  Al  Al266  1  0.504056  0.262860  0.611834  1
  Al  Al267  1  0.504056  0.878586  0.659327  1
  Al  Al268  1  0.504056  0.350519  0.676014  1
  Al  Al269  1  0.504056  0.120118  0.580262  1
  Al  Al270  1  0.504056  0.735510  0.627909  1
