# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.43003676
_cell_length_b   7.33642104
_cell_length_c   48.02583556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.82467362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5467.74065351
_cell_formula_units_Z   28
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
  Al  Al1  1  0.538718  0.647364  0.322641  1
  Al  Al2  1  0.068552  0.973141  0.284056  1
  Al  Al3  1  0.690528  0.434281  0.294994  1
  Al  Al4  1  0.173416  0.068394  0.329526  1
  Al  Al5  1  0.432682  0.619941  0.277151  1
  Al  Al6  1  0.912949  0.257967  0.309541  1
  Al  Al7  1  0.327041  0.140914  0.268913  1
  Al  Al8  1  0.799858  0.857922  0.296417  1
  Al  Al9  1  0.432088  0.252457  0.310055  1
  Al  Al10  1  0.962912  0.586073  0.279105  1
  Al  Al11  1  0.646649  0.096499  0.326724  1
  Al  Al12  1  0.169140  0.447035  0.291950  1
  Al  Al13  1  0.498743  0.976214  0.384148  1
  Al  Al14  1  0.015952  0.322346  0.351091  1
  Al  Al15  1  0.653595  0.727511  0.359970  1
  Al  Al16  1  0.129189  0.379346  0.393218  1
  Al  Al17  1  0.385620  0.920340  0.342696  1
  Al  Al18  1  0.864288  0.574659  0.374571  1
  Al  Al19  1  0.277856  0.476558  0.336873  1
  Al  Al20  1  0.759391  0.128005  0.369278  1
  Al  Al21  1  0.389703  0.551269  0.376948  1
  Al  Al22  1  0.912050  0.900303  0.343398  1
  Al  Al23  1  0.606875  0.392833  0.392588  1
  Al  Al24  1  0.126974  0.744420  0.358258  1
  Al  Al25  1  0.454980  0.285904  0.450827  1
  Al  Al26  1  0.978342  0.624207  0.417855  1
  Al  Al27  1  0.607893  0.030088  0.427423  1
  Al  Al28  1  0.087017  0.681698  0.460942  1
  Al  Al29  1  0.345012  0.222397  0.408782  1
  Al  Al30  1  0.823408  0.872711  0.442565  1
  Al  Al31  1  0.237379  0.811794  0.400241  1
  Al  Al32  1  0.716537  0.459112  0.434072  1
  Al  Al33  1  0.347543  0.855940  0.444418  1
  Al  Al34  1  0.868869  0.202861  0.410772  1
  Al  Al35  1  0.561677  0.700736  0.459238  1
  Al  Al36  1  0.083035  0.048887  0.426024  1
  Al  Al37  1  0.410792  0.577200  0.519623  1
  Al  Al38  1  0.932919  0.933931  0.484791  1
  Al  Al39  1  0.565132  0.332867  0.494820  1
  Al  Al40  1  0.042904  0.984105  0.528159  1
  Al  Al41  1  0.300343  0.527139  0.476073  1
  Al  Al42  1  0.778047  0.177456  0.509801  1
  Al  Al43  1  0.194561  0.103459  0.468642  1
  Al  Al44  1  0.671752  0.757061  0.501899  1
  Al  Al45  1  0.304149  0.158776  0.511573  1
  Al  Al46  1  0.826070  0.507503  0.477577  1
  Al  Al47  1  0.517096  1.004245  0.526602  1
  Al  Al48  1  0.039463  0.351242  0.492980  1
  Al  Al49  1  0.365475  0.881842  0.586953  1
  Al  Al50  1  0.887944  0.226282  0.553370  1
  Al  Al51  1  0.520766  0.637063  0.561931  1
  Al  Al52  1  0.997424  0.287797  0.595737  1
  Al  Al53  1  0.256792  0.828355  0.543457  1
  Al  Al54  1  0.734698  0.482608  0.576559  1
  Al  Al55  1  0.149024  0.405838  0.536066  1
  Al  Al56  1  0.626630  0.052025  0.570537  1
  Al  Al57  1  0.260047  0.461957  0.578366  1
  Al  Al58  1  0.781664  0.810422  0.545104  1
  Al  Al59  1  0.474514  0.306609  0.594130  1
  Al  Al60  1  0.995826  0.654204  0.560001  1
  Al  Al61  1  0.327051  0.193823  0.653120  1
  Al  Al62  1  0.843901  0.534468  0.620237  1
  Al  Al63  1  0.477982  0.939141  0.629417  1
  Al  Al64  1  0.961314  0.585518  0.661755  1
  Al  Al65  1  0.214521  0.130465  0.611247  1
  Al  Al66  1  0.691116  0.782977  0.644572  1
  Al  Al67  1  0.105461  0.698908  0.603941  1
  Al  Al68  1  0.583677  0.373995  0.636322  1
  Al  Al69  1  0.216915  0.767099  0.645541  1
  Al  Al70  1  0.736326  0.115927  0.612580  1
  Al  Al71  1  0.430926  0.609706  0.660531  1
  Al  Al72  1  0.953974  0.962062  0.626940  1
  Al  Al73  1  0.273329  0.544761  0.720500  1
  Al  Al74  1  0.806325  0.858592  0.681655  1
  Al  Al75  1  0.429550  0.253844  0.695598  1
  Al  Al76  1  0.909819  0.894203  0.726020  1
  Al  Al77  1  0.165816  0.441757  0.674451  1
  Al  Al78  1  0.652704  0.073769  0.710516  1
  Al  Al79  1  0.066658  0.048144  0.666927  1
  Al  Al80  1  0.543220  0.655350  0.705633  1
  Al  Al81  1  0.175811  0.062666  0.712374  1
  Al  Al82  1  0.697231  0.418628  0.676575  1
  Al  Al83  1  0.378784  0.929014  0.724471  1
  Al  Al84  1  0.911764  0.253862  0.694950  1
  Ni  Ni85  1  0.562418  0.027342  0.287772  1
  Ni  Ni86  1  0.043226  0.677454  0.317156  1
  Ni  Ni87  1  0.441079  0.922438  0.296267  1
  Ni  Ni88  1  0.908467  0.590541  0.324823  1
  Ni  Ni89  1  0.670492  0.766971  0.308671  1
  Ni  Ni90  1  0.189091  0.105220  0.281493  1
  Ni  Ni91  1  0.568023  0.714405  0.276942  1
  Ni  Ni92  1  0.057886  0.305606  0.303219  1
  Ni  Ni93  1  0.554839  0.355662  0.297751  1
  Ni  Ni94  1  0.032590  0.007108  0.332081  1
  Ni  Ni95  1  0.304766  0.855899  0.300481  1
  Ni  Ni96  1  0.816990  0.186926  0.275609  1
  Ni  Ni97  1  0.683805  0.127404  0.279608  1
  Ni  Ni98  1  0.184479  0.751691  0.310211  1
  Ni  Ni99  1  0.400161  0.589056  0.325526  1
  Ni  Ni100  1  0.932039  0.929052  0.294467  1
  Ni  Ni101  1  0.308879  0.514516  0.289239  1
  Ni  Ni102  1  0.787434  0.159371  0.320689  1
  Ni  Ni103  1  0.288719  0.180929  0.315675  1
  Ni  Ni104  1  0.816434  0.526450  0.286672  1
  Ni  Ni105  1  0.518940  0.335731  0.349086  1
  Ni  Ni106  1  0.997592  0.974328  0.384217  1
  Ni  Ni107  1  0.393840  0.231599  0.359308  1
  Ni  Ni108  1  0.871067  0.881921  0.393553  1
  Ni  Ni109  1  0.625333  0.064056  0.376477  1
  Ni  Ni110  1  0.143911  0.409207  0.341402  1
  Ni  Ni111  1  0.529110  0.976943  0.334504  1
  Ni  Ni112  1  0.007871  0.635172  0.368433  1
  Ni  Ni113  1  0.508105  0.663154  0.370261  1
  Ni  Ni114  1  0.987227  0.313068  0.400059  1
  Ni  Ni115  1  0.259008  0.153844  0.367902  1
  Ni  Ni116  1  0.781363  0.495780  0.333341  1
  Ni  Ni117  1  0.657572  0.399876  0.344237  1
  Ni  Ni118  1  0.124332  0.065591  0.376919  1
  Ni  Ni119  1  0.370606  0.885268  0.393673  1
  Ni  Ni120  1  0.885426  0.234907  0.359659  1
  Ni  Ni121  1  0.271167  0.795026  0.350988  1
  Ni  Ni122  1  0.748329  0.451855  0.384620  1
  Ni  Ni123  1  0.247373  0.494030  0.385346  1
  Ni  Ni124  1  0.772786  0.828710  0.345138  1
  Ni  Ni125  1  0.475938  0.618204  0.419502  1
  Ni  Ni126  1  0.953909  0.275456  0.452076  1
  Ni  Ni127  1  0.341909  0.543786  0.426187  1
  Ni  Ni128  1  0.821429  0.192840  0.460058  1
  Ni  Ni129  1  0.588875  0.362551  0.443881  1
  Ni  Ni130  1  0.108683  0.714476  0.409588  1
  Ni  Ni131  1  0.486941  0.287244  0.401856  1
  Ni  Ni132  1  0.964752  0.937128  0.435995  1
  Ni  Ni133  1  0.466366  0.966947  0.433381  1
  Ni  Ni134  1  0.945152  0.617779  0.466972  1
  Ni  Ni135  1  0.214639  0.449241  0.435461  1
  Ni  Ni136  1  0.737175  0.802876  0.400997  1
  Ni  Ni137  1  0.605250  0.714930  0.409429  1
  Ni  Ni138  1  0.084766  0.363712  0.443437  1
  Ni  Ni139  1  0.325710  0.191241  0.460213  1
  Ni  Ni140  1  0.847870  0.539723  0.426138  1
  Ni  Ni141  1  0.224556  0.119014  0.419886  1
  Ni  Ni142  1  0.703824  0.767465  0.453147  1
  Ni  Ni143  1  0.205899  0.791043  0.449479  1
  Ni  Ni144  1  0.726859  0.141145  0.418191  1
  Ni  Ni145  1  0.432439  0.929286  0.485520  1
  Ni  Ni146  1  0.910913  0.580866  0.518939  1
  Ni  Ni147  1  0.302868  0.841141  0.494113  1
  Ni  Ni148  1  0.781335  0.493271  0.527216  1
  Ni  Ni149  1  0.540531  0.669396  0.510539  1
  Ni  Ni150  1  0.064322  0.016400  0.477106  1
  Ni  Ni151  1  0.442448  0.593387  0.471013  1
  Ni  Ni152  1  0.919938  0.244014  0.504387  1
  Ni  Ni153  1  0.423032  0.267769  0.499850  1
  Ni  Ni154  1  0.901115  0.917280  0.533427  1
  Ni  Ni155  1  0.171737  0.755600  0.502160  1
  Ni  Ni156  1  0.693416  0.098633  0.469296  1
  Ni  Ni157  1  0.561187  0.019128  0.476828  1
  Ni  Ni158  1  0.040780  0.668955  0.510332  1
  Ni  Ni159  1  0.279102  0.494453  0.527190  1
  Ni  Ni160  1  0.803692  0.841186  0.493890  1
  Ni  Ni161  1  0.181565  0.416552  0.487189  1
  Ni  Ni162  1  0.658935  0.068519  0.521492  1
  Ni  Ni163  1  0.161997  0.093591  0.517370  1
  Ni  Ni164  1  0.684205  0.442530  0.483195  1
  Ni  Ni165  1  0.389367  0.236265  0.552272  1
  Ni  Ni166  1  0.867612  0.892092  0.584925  1
  Ni  Ni167  1  0.259646  0.145038  0.561230  1
  Ni  Ni168  1  0.738562  0.796200  0.594916  1
  Ni  Ni169  1  0.494628  0.972031  0.577912  1
  Ni  Ni170  1  0.017503  0.319237  0.544304  1
  Ni  Ni171  1  0.398537  0.892863  0.537779  1
  Ni  Ni172  1  0.876782  0.544302  0.571075  1
  Ni  Ni173  1  0.379322  0.570668  0.568364  1
  Ni  Ni174  1  0.854802  0.224553  0.602226  1
  Ni  Ni175  1  0.128770  0.062189  0.568769  1
  Ni  Ni176  1  0.649786  0.410610  0.535353  1
  Ni  Ni177  1  0.521489  0.317760  0.544638  1
  Ni  Ni178  1  1.001388  0.967391  0.577806  1
  Ni  Ni179  1  0.233963  0.796359  0.594497  1
  Ni  Ni180  1  0.754535  0.147744  0.561008  1
  Ni  Ni181  1  0.137410  0.720217  0.554738  1
  Ni  Ni182  1  0.616451  0.370008  0.587206  1
  Ni  Ni183  1  0.118283  0.390366  0.584934  1
  Ni  Ni184  1  0.639355  0.745313  0.550612  1
  Ni  Ni185  1  0.345924  0.536022  0.620070  1
  Ni  Ni186  1  0.824153  0.175596  0.655215  1
  Ni  Ni187  1  0.217762  0.446044  0.627413  1
  Ni  Ni188  1  0.686427  0.109383  0.661669  1
  Ni  Ni189  1  0.457794  0.274506  0.645520  1
  Ni  Ni190  1  0.972723  0.624472  0.610825  1
  Ni  Ni191  1  0.355579  0.196548  0.604028  1
  Ni  Ni192  1  0.837390  0.845346  0.634190  1
  Ni  Ni193  1  0.335467  0.879252  0.636404  1
  Ni  Ni194  1  0.817555  0.530252  0.669934  1
  Ni  Ni195  1  0.084029  0.349587  0.636497  1
  Ni  Ni196  1  0.606250  0.713370  0.603125  1
  Ni  Ni197  1  0.475273  0.625770  0.611143  1
  Ni  Ni198  1  0.946754  0.280795  0.645282  1
  Ni  Ni199  1  0.202773  0.099584  0.663036  1
  Ni  Ni200  1  0.715525  0.449136  0.627033  1
  Ni  Ni201  1  0.096438  0.015456  0.618517  1
  Ni  Ni202  1  0.570472  0.681842  0.657292  1
  Ni  Ni203  1  0.072436  0.725646  0.653324  1
  Ni  Ni204  1  0.595526  0.054996  0.619802  1
  Ni  Ni205  1  0.299959  0.832649  0.686894  1
  Ni  Ni206  1  0.781732  0.483506  0.715863  1
  Ni  Ni207  1  0.161378  0.759582  0.692744  1
  Ni  Ni208  1  0.660977  0.389182  0.723179  1
  Ni  Ni209  1  0.409591  0.587644  0.709067  1
  Ni  Ni210  1  0.943681  0.923581  0.677641  1
  Ni  Ni211  1  0.309266  0.505490  0.672717  1
  Ni  Ni212  1  0.786275  0.156188  0.705460  1
  Ni  Ni213  1  0.283962  0.213328  0.700926  1
  Ni  Ni214  1  0.776792  0.792824  0.727115  1
  Ni  Ni215  1  0.039998  0.662320  0.702448  1
  Ni  Ni216  1  0.562350  0.014171  0.670705  1
  Ni  Ni217  1  0.433746  0.922397  0.678794  1
  Ni  Ni218  1  0.906514  0.582707  0.708350  1
  Ni  Ni219  1  0.153687  0.411011  0.722621  1
  Ni  Ni220  1  0.672942  0.744414  0.695686  1
  Ni  Ni221  1  0.049610  0.334221  0.694350  1
  Ni  Ni222  1  0.526661  0.974543  0.716231  1
  Ni  Ni223  1  0.037699  0.979714  0.713190  1
  Ni  Ni224  1  0.555688  0.346199  0.685575  1
