# generated using pymatgen
data_Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40027236
_cell_length_b   11.39809867
_cell_length_c   46.00861149
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al
_chemical_formula_sum   'Nb120 Al40'
_cell_volume   5857.63602655
_cell_formula_units_Z   40
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  0.248147  0.128030  0.340047  1
  Nb  Nb2  1  0.748147  0.628030  0.340047  1
  Nb  Nb3  1  0.830236  0.212158  0.297246  1
  Nb  Nb4  1  0.330236  0.712158  0.297246  1
  Nb  Nb5  1  0.031692  0.170978  0.316395  1
  Nb  Nb6  1  0.531692  0.670978  0.316395  1
  Nb  Nb7  1  0.460715  0.085684  0.363249  1
  Nb  Nb8  1  0.960715  0.585684  0.363249  1
  Nb  Nb9  1  0.835033  0.211356  0.363248  1
  Nb  Nb10  1  0.335033  0.711356  0.363248  1
  Nb  Nb11  1  0.420329  0.282326  0.316398  1
  Nb  Nb12  1  0.920329  0.782326  0.316398  1
  Nb  Nb13  1  0.877382  0.998798  0.340047  1
  Nb  Nb14  1  0.377382  0.498798  0.340047  1
  Nb  Nb15  1  0.461527  0.080861  0.297244  1
  Nb  Nb16  1  0.961527  0.580861  0.297244  1
  Nb  Nb17  1  0.151273  0.901743  0.327348  1
  Nb  Nb18  1  0.651273  0.401743  0.327348  1
  Nb  Nb19  1  0.737801  0.986659  0.287463  1
  Nb  Nb20  1  0.237801  0.486659  0.287463  1
  Nb  Nb21  1  0.236001  0.988426  0.287461  1
  Nb  Nb22  1  0.736001  0.488426  0.287461  1
  Nb  Nb23  1  0.651087  0.901926  0.327348  1
  Nb  Nb24  1  0.151087  0.401926  0.327348  1
  Nb  Nb25  1  0.085101  0.961585  0.431494  1
  Nb  Nb26  1  0.585101  0.461585  0.431494  1
  Nb  Nb27  1  0.668594  0.043395  0.386013  1
  Nb  Nb28  1  0.168594  0.543395  0.386013  1
  Nb  Nb29  1  0.877052  1.002698  0.408669  1
  Nb  Nb30  1  0.377052  0.502698  0.408669  1
  Nb  Nb31  1  0.293804  0.919199  0.454595  1
  Nb  Nb32  1  0.793804  0.419199  0.454595  1
  Nb  Nb33  1  0.668543  0.044458  0.454595  1
  Nb  Nb34  1  0.168543  0.544458  0.454595  1
  Nb  Nb35  1  0.252044  0.127705  0.408669  1
  Nb  Nb36  1  0.752044  0.627705  0.408669  1
  Nb  Nb37  1  0.710927  0.835760  0.431495  1
  Nb  Nb38  1  0.210927  0.335760  0.431495  1
  Nb  Nb39  1  0.292740  0.919249  0.386013  1
  Nb  Nb40  1  0.792740  0.419249  0.386013  1
  Nb  Nb41  1  0.981393  0.732255  0.419883  1
  Nb  Nb42  1  0.481393  0.232255  0.419883  1
  Nb  Nb43  1  0.565483  0.813966  0.374233  1
  Nb  Nb44  1  0.065483  0.313966  0.374233  1
  Nb  Nb45  1  0.063310  0.816135  0.374235  1
  Nb  Nb46  1  0.563310  0.316135  0.374235  1
  Nb  Nb47  1  0.481597  0.732047  0.419883  1
  Nb  Nb48  1  0.981597  0.232047  0.419883  1
  Nb  Nb49  1  0.918589  0.794674  0.523175  1
  Nb  Nb50  1  0.418589  0.294674  0.523175  1
  Nb  Nb51  1  0.502124  0.877584  0.477371  1
  Nb  Nb52  1  1.002124  0.377584  0.477371  1
  Nb  Nb53  1  0.710618  0.836078  0.500288  1
  Nb  Nb54  1  0.210618  0.336078  0.500288  1
  Nb  Nb55  1  0.127054  0.752666  0.546024  1
  Nb  Nb56  1  0.627054  0.252666  0.546024  1
  Nb  Nb57  1  0.502009  0.877710  0.546024  1
  Nb  Nb58  1  1.002009  0.377710  0.546024  1
  Nb  Nb59  1  0.085421  0.961273  0.500288  1
  Nb  Nb60  1  0.585421  0.461273  0.500288  1
  Nb  Nb61  1  0.544015  0.669250  0.523175  1
  Nb  Nb62  1  0.044015  0.169250  0.523175  1
  Nb  Nb63  1  0.126926  0.752785  0.477371  1
  Nb  Nb64  1  0.626926  0.252785  0.477371  1
  Nb  Nb65  1  0.814607  0.565311  0.511685  1
  Nb  Nb66  1  0.314607  0.065311  0.511685  1
  Nb  Nb67  1  0.397786  0.648713  0.465991  1
  Nb  Nb68  1  0.897786  0.148713  0.465991  1
  Nb  Nb69  1  0.898052  0.648440  0.465992  1
  Nb  Nb70  1  0.398052  0.148440  0.465992  1
  Nb  Nb71  1  0.314649  0.565262  0.511686  1
  Nb  Nb72  1  0.814649  0.065262  0.511686  1
  Nb  Nb73  1  0.751059  0.629076  0.615022  1
  Nb  Nb74  1  0.251059  0.129076  0.615022  1
  Nb  Nb75  1  0.335567  0.710592  0.568907  1
  Nb  Nb76  1  0.835567  0.210592  0.568907  1
  Nb  Nb77  1  0.544240  0.669188  0.591927  1
  Nb  Nb78  1  0.044240  0.169188  0.591927  1
  Nb  Nb79  1  0.957393  0.587858  0.637532  1
  Nb  Nb80  1  0.457393  0.087858  0.637532  1
  Nb  Nb81  1  0.337196  0.708058  0.637532  1
  Nb  Nb82  1  0.837196  0.208058  0.637532  1
  Nb  Nb83  1  0.918532  0.794896  0.591927  1
  Nb  Nb84  1  0.418532  0.294896  0.591927  1
  Nb  Nb85  1  0.378417  0.501719  0.615023  1
  Nb  Nb86  1  0.878417  1.001719  0.615023  1
  Nb  Nb87  1  0.959934  0.586230  0.568907  1
  Nb  Nb88  1  0.459934  0.086230  0.568907  1
  Nb  Nb89  1  0.648728  0.397538  0.603188  1
  Nb  Nb90  1  0.148728  0.897538  0.603188  1
  Nb  Nb91  1  0.230751  0.481587  0.557838  1
  Nb  Nb92  1  0.730751  0.981587  0.557838  1
  Nb  Nb93  1  0.730924  0.481406  0.557839  1
  Nb  Nb94  1  0.230924  0.981406  0.557839  1
  Nb  Nb95  1  0.146877  0.399384  0.603188  1
  Nb  Nb96  1  0.646877  0.899384  0.603188  1
  Nb  Nb97  1  0.593145  0.461534  0.705903  1
  Nb  Nb98  1  0.093145  0.961534  0.705903  1
  Nb  Nb99  1  0.168345  0.544188  0.659696  1
  Nb  Nb100  1  0.668345  0.044188  0.659696  1
  Nb  Nb101  1  0.386392  0.497912  0.684409  1
  Nb  Nb102  1  0.886392  0.997912  0.684409  1
  Nb  Nb103  1  0.792439  0.423860  0.720441  1
  Nb  Nb104  1  0.292439  0.923860  0.720441  1
  Nb  Nb105  1  0.173161  0.543063  0.720422  1
  Nb  Nb106  1  0.673161  0.043063  0.720422  1
  Nb  Nb107  1  0.747243  0.637073  0.684408  1
  Nb  Nb108  1  0.247243  0.137073  0.684408  1
  Nb  Nb109  1  0.210838  0.343931  0.705906  1
  Nb  Nb110  1  0.710838  0.843931  0.705906  1
  Nb  Nb111  1  0.793530  0.419018  0.659688  1
  Nb  Nb112  1  0.293530  0.919018  0.659688  1
  Nb  Nb113  1  0.479748  0.233573  0.694814  1
  Nb  Nb114  1  0.979748  0.733573  0.694814  1
  Nb  Nb115  1  0.059512  0.312240  0.650635  1
  Nb  Nb116  1  0.559512  0.812240  0.650635  1
  Nb  Nb117  1  0.561578  0.310164  0.650638  1
  Nb  Nb118  1  0.061578  0.810164  0.650638  1
  Nb  Nb119  1  0.982899  0.230421  0.694811  1
  Nb  Nb120  1  0.482899  0.730421  0.694811  1
  Al  Al121  1  0.982890  0.976480  0.288281  1
  Al  Al122  1  0.482890  0.476480  0.288281  1
  Al  Al123  1  0.401802  0.899842  0.330382  1
  Al  Al124  1  0.901802  0.399842  0.330382  1
  Al  Al125  1  0.225857  0.233529  0.288281  1
  Al  Al126  1  0.725857  0.733529  0.288281  1
  Al  Al127  1  0.649183  0.152471  0.330381  1
  Al  Al128  1  0.149183  0.652471  0.330381  1
  Al  Al129  1  0.814284  0.814701  0.373669  1
  Al  Al130  1  0.314284  0.314701  0.373669  1
  Al  Al131  1  0.230814  0.731799  0.420348  1
  Al  Al132  1  0.730814  0.231799  0.420348  1
  Al  Al133  1  0.064045  0.064942  0.373669  1
  Al  Al134  1  0.564045  0.564942  0.373669  1
  Al  Al135  1  0.481144  0.981470  0.420348  1
  Al  Al136  1  0.981144  0.481470  0.420348  1
  Al  Al137  1  0.647785  0.648689  0.465850  1
  Al  Al138  1  0.147785  0.148689  0.465850  1
  Al  Al139  1  0.064856  0.565106  0.511830  1
  Al  Al140  1  0.564856  0.065106  0.511830  1
  Al  Al141  1  0.898032  0.898442  0.465850  1
  Al  Al142  1  0.398032  0.398442  0.465850  1
  Al  Al143  1  0.314448  0.815514  0.511830  1
  Al  Al144  1  0.814448  0.315514  0.511830  1
  Al  Al145  1  0.480878  0.482155  0.557469  1
  Al  Al146  1  0.980878  0.982155  0.557469  1
  Al  Al147  1  0.899592  0.397816  0.603103  1
  Al  Al148  1  0.399592  0.897816  0.603103  1
  Al  Al149  1  0.731497  0.731536  0.557469  1
  Al  Al150  1  0.231497  0.231536  0.557469  1
  Al  Al151  1  0.147161  0.650249  0.603104  1
  Al  Al152  1  0.647161  0.150249  0.603104  1
  Al  Al153  1  0.310516  0.319127  0.648850  1
  Al  Al154  1  0.810516  0.819127  0.648850  1
  Al  Al155  1  0.736107  0.228225  0.692183  1
  Al  Al156  1  0.236107  0.728225  0.692183  1
  Al  Al157  1  0.568462  0.561177  0.648850  1
  Al  Al158  1  0.068462  0.061177  0.648850  1
  Al  Al159  1  0.977564  0.486772  0.692185  1
  Al  Al160  1  0.477564  0.986772  0.692185  1
