# generated using pymatgen
data_Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.17937142
_cell_length_b   11.37664283
_cell_length_c   48.02585767
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al
_chemical_formula_sum   'Nb72 Al24'
_cell_volume   3721.31924874
_cell_formula_units_Z   24
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  0.708660  0.797126  0.296149  1
  Nb  Nb2  1  0.952587  0.246556  0.323268  1
  Nb  Nb3  1  0.946366  0.745563  0.323617  1
  Nb  Nb4  1  0.721795  0.298115  0.293560  1
  Nb  Nb5  1  0.621933  0.826665  0.351739  1
  Nb  Nb6  1  0.388098  0.369165  0.316408  1
  Nb  Nb7  1  0.501008  0.598927  0.334601  1
  Nb  Nb8  1  0.312066  0.158998  0.301922  1
  Nb  Nb9  1  0.825805  0.469338  0.342174  1
  Nb  Nb10  1  0.600866  0.025810  0.308625  1
  Nb  Nb11  1  0.096110  0.517211  0.308456  1
  Nb  Nb12  1  0.327455  0.967244  0.342122  1
  Nb  Nb13  1  0.174486  0.687595  0.360562  1
  Nb  Nb14  1  0.398424  0.131355  0.397426  1
  Nb  Nb15  1  0.398039  0.632894  0.396784  1
  Nb  Nb16  1  0.176615  0.186352  0.361460  1
  Nb  Nb17  1  0.065594  0.715955  0.423670  1
  Nb  Nb18  1  0.847286  0.272241  0.388379  1
  Nb  Nb19  1  0.953509  0.493948  0.405876  1
  Nb  Nb20  1  0.738005  0.049882  0.369962  1
  Nb  Nb21  1  0.262481  0.354689  0.415084  1
  Nb  Nb22  1  0.041814  0.909609  0.378269  1
  Nb  Nb23  1  0.538361  0.411853  0.379116  1
  Nb  Nb24  1  0.761974  0.854573  0.414671  1
  Nb  Nb25  1  0.621685  0.577698  0.432696  1
  Nb  Nb26  1  0.843789  0.021115  0.468798  1
  Nb  Nb27  1  0.843563  0.521248  0.468922  1
  Nb  Nb28  1  0.622039  0.076748  0.432820  1
  Nb  Nb29  1  0.510148  0.604497  0.495811  1
  Nb  Nb30  1  0.287686  0.159875  0.460036  1
  Nb  Nb31  1  0.399618  0.382586  0.477952  1
  Nb  Nb32  1  0.176894  0.937428  0.441806  1
  Nb  Nb33  1  0.704698  0.243520  0.486846  1
  Nb  Nb34  1  0.482994  0.799319  0.450678  1
  Nb  Nb35  1  0.983061  0.299108  0.450992  1
  Nb  Nb36  1  0.204860  0.743238  0.486787  1
  Nb  Nb37  1  0.065865  0.465766  0.504855  1
  Nb  Nb38  1  0.287977  0.909856  0.540778  1
  Nb  Nb39  1  0.287882  0.409868  0.540883  1
  Nb  Nb40  1  0.065711  0.965369  0.504841  1
  Nb  Nb41  1  0.954659  0.493701  0.567932  1
  Nb  Nb42  1  0.731937  0.048990  0.531701  1
  Nb  Nb43  1  0.843494  0.271292  0.549771  1
  Nb  Nb44  1  0.621416  0.826500  0.513737  1
  Nb  Nb45  1  0.149044  0.132249  0.558798  1
  Nb  Nb46  1  0.926830  0.687884  0.522746  1
  Nb  Nb47  1  0.426820  0.187756  0.522940  1
  Nb  Nb48  1  0.648755  0.631691  0.558935  1
  Nb  Nb49  1  0.511085  0.354342  0.577119  1
  Nb  Nb50  1  0.732203  0.798335  0.612691  1
  Nb  Nb51  1  0.733801  0.299922  0.612635  1
  Nb  Nb52  1  0.511364  0.854261  0.576600  1
  Nb  Nb53  1  0.399870  0.384280  0.640122  1
  Nb  Nb54  1  0.177698  0.937790  0.603798  1
  Nb  Nb55  1  0.287536  0.158837  0.621622  1
  Nb  Nb56  1  0.064570  0.715515  0.585709  1
  Nb  Nb57  1  0.593591  0.021293  0.630339  1
  Nb  Nb58  1  0.370942  0.576561  0.594870  1
  Nb  Nb59  1  0.869710  0.077416  0.594463  1
  Nb  Nb60  1  0.094657  0.522508  0.630937  1
  Nb  Nb61  1  0.964827  0.243829  0.649199  1
  Nb  Nb62  1  0.185641  0.692766  0.683280  1
  Nb  Nb63  1  0.177278  0.185487  0.684718  1
  Nb  Nb64  1  0.961209  0.740830  0.649530  1
  Nb  Nb65  1  0.844666  0.268312  0.704975  1
  Nb  Nb66  1  0.621608  0.834231  0.674945  1
  Nb  Nb67  1  0.747691  0.056362  0.692460  1
  Nb  Nb68  1  0.510421  0.610570  0.657555  1
  Nb  Nb69  1  0.027349  0.906886  0.698234  1
  Nb  Nb70  1  0.809328  0.463073  0.667724  1
  Nb  Nb71  1  0.307795  0.961248  0.668481  1
  Nb  Nb72  1  0.533026  0.402664  0.698158  1
  Al  Al73  1  0.721086  0.544255  0.294809  1
  Al  Al74  1  0.963575  0.999632  0.325741  1
  Al  Al75  1  0.331574  0.769773  0.309992  1
  Al  Al76  1  0.573431  0.218529  0.346580  1
  Al  Al77  1  0.174764  0.434153  0.361691  1
  Al  Al78  1  0.400534  0.882763  0.396657  1
  Al  Al79  1  0.787929  0.661490  0.378084  1
  Al  Al80  1  0.010216  0.104295  0.414833  1
  Al  Al81  1  0.621627  0.326938  0.433107  1
  Al  Al82  1  0.843544  0.771095  0.468795  1
  Al  Al83  1  0.232347  0.549061  0.450793  1
  Al  Al84  1  0.454548  0.993331  0.486782  1
  Al  Al85  1  0.065698  0.215567  0.504877  1
  Al  Al86  1  0.287892  0.659896  0.540808  1
  Al  Al87  1  0.676811  0.437769  0.522977  1
  Al  Al88  1  0.899188  0.882410  0.558711  1
  Al  Al89  1  0.508634  0.103726  0.576950  1
  Al  Al90  1  0.732169  0.548956  0.613447  1
  Al  Al91  1  0.122153  0.326848  0.594747  1
  Al  Al92  1  0.344346  0.774080  0.629855  1
  Al  Al93  1  0.954383  0.993910  0.646688  1
  Al  Al94  1  0.179171  0.442772  0.683021  1
  Al  Al95  1  0.557038  0.208337  0.664138  1
  Al  Al96  1  0.784137  0.658530  0.697272  1
