# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.60375663
_cell_length_b   19.72519601
_cell_length_c   49.09325983
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5426.53319662
_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  1.005183  0.774843  0.272330  1
  Al  Al2  1  1.006900  0.334125  0.308123  1
  Al  Al3  1  0.995034  0.919527  0.280923  1
  Al  Al4  1  0.007851  0.476490  0.314045  1
  Al  Al5  1  1.007298  0.629861  0.266785  1
  Al  Al6  1  0.009836  0.193613  0.301344  1
  Al  Al7  1  0.507716  0.496274  0.257883  1
  Al  Al8  1  0.532882  0.054738  0.290341  1
  Al  Al9  1  0.507801  0.641288  0.265343  1
  Al  Al10  1  0.508549  0.198885  0.300448  1
  Al  Al11  1  0.507041  0.910089  0.281141  1
  Al  Al12  1  0.507934  0.469480  0.316125  1
  Al  Al13  1  0.015428  0.893621  0.340450  1
  Al  Al14  1  0.008183  0.454206  0.374565  1
  Al  Al15  1  0.010411  0.035245  0.347349  1
  Al  Al16  1  1.007360  0.595457  0.381533  1
  Al  Al17  1  0.008349  0.751679  0.333205  1
  Al  Al18  1  0.008285  0.311458  0.367212  1
  Al  Al19  1  0.506639  0.616164  0.324906  1
  Al  Al20  1  0.502252  0.172919  0.357641  1
  Al  Al21  1  0.505521  0.757558  0.331471  1
  Al  Al22  1  0.508139  0.317268  0.365358  1
  Al  Al23  1  0.505048  0.029552  0.349101  1
  Al  Al24  1  0.507954  0.589783  0.382849  1
  Al  Al25  1  1.003149  0.011324  0.407278  1
  Al  Al26  1  0.008718  0.571912  0.441218  1
  Al  Al27  1  1.007252  0.154029  0.414670  1
  Al  Al28  1  0.008354  0.713988  0.448618  1
  Al  Al29  1  1.006149  0.869465  0.399866  1
  Al  Al30  1  0.007843  0.429352  0.433575  1
  Al  Al31  1  0.510276  0.733215  0.391171  1
  Al  Al32  1  0.509567  0.291821  0.424172  1
  Al  Al33  1  0.509108  0.875364  0.398521  1
  Al  Al34  1  0.507812  0.435114  0.432275  1
  Al  Al35  1  0.508843  0.148232  0.416120  1
  Al  Al36  1  0.507075  0.708202  0.450010  1
  Al  Al37  1  0.010139  0.129954  0.473947  1
  Al  Al38  1  1.005467  0.690002  0.508045  1
  Al  Al39  1  0.008151  0.272389  0.481561  1
  Al  Al40  1  1.006880  0.832521  0.515466  1
  Al  Al41  1  0.008788  0.987758  0.466668  1
  Al  Al42  1  1.007445  0.547443  0.500430  1
  Al  Al43  1  0.504805  0.851265  0.457990  1
  Al  Al44  1  0.507782  0.409914  0.490981  1
  Al  Al45  1  0.506819  0.993566  0.465279  1
  Al  Al46  1  0.508046  0.553155  0.499008  1
  Al  Al47  1  0.507511  0.266654  0.482956  1
  Al  Al48  1  0.508685  0.826758  0.516880  1
  Al  Al49  1  1.006836  0.247916  0.540742  1
  Al  Al50  1  0.012390  0.808461  0.574794  1
  Al  Al51  1  1.007718  0.390437  0.548354  1
  Al  Al52  1  0.009283  0.950572  0.582322  1
  Al  Al53  1  1.007156  0.105872  0.533464  1
  Al  Al54  1  0.008330  0.666029  0.567249  1
  Al  Al55  1  0.510744  0.969970  0.524824  1
  Al  Al56  1  0.506003  0.528112  0.557761  1
  Al  Al57  1  0.508569  0.111743  0.532141  1
  Al  Al58  1  0.506745  0.671871  0.565829  1
  Al  Al59  1  0.507781  0.384698  0.549695  1
  Al  Al60  1  0.506624  0.944740  0.583709  1
  Al  Al61  1  1.007396  0.365637  0.607287  1
  Al  Al62  1  1.000194  0.926188  0.641580  1
  Al  Al63  1  1.007269  0.508852  0.614626  1
  Al  Al64  1  1.007433  0.068385  0.648715  1
  Al  Al65  1  0.008291  0.223989  0.600349  1
  Al  Al66  1  1.005269  0.784444  0.634724  1
  Al  Al67  1  0.505309  0.088563  0.591953  1
  Al  Al68  1  0.513416  0.646590  0.624443  1
  Al  Al69  1  0.507582  0.229862  0.599065  1
  Al  Al70  1  0.510421  0.790114  0.632951  1
  Al  Al71  1  0.507430  0.502864  0.616435  1
  Al  Al72  1  0.509895  0.062528  0.650530  1
  Al  Al73  1  0.008875  0.484777  0.673702  1
  Al  Al74  1  0.010439  0.045692  0.709510  1
  Al  Al75  1  1.005562  0.625750  0.680543  1
  Al  Al76  1  0.008257  0.188170  0.713751  1
  Al  Al77  1  1.007646  0.343192  0.666503  1
  Al  Al78  1  0.020342  0.900494  0.701071  1
  Al  Al79  1  0.509150  0.207816  0.659061  1
  Al  Al80  1  0.482587  0.764909  0.691689  1
  Al  Al81  1  0.507649  0.350147  0.664789  1
  Al  Al82  1  0.508669  0.909895  0.700829  1
  Al  Al83  1  0.507168  0.620468  0.681570  1
  Al  Al84  1  0.507866  0.177929  0.716005  1
  Ni  Ni85  1  0.508850  0.775622  0.274130  1
  Ni  Ni86  1  0.509797  0.334036  0.309771  1
  Ni  Ni87  1  0.253382  0.695110  0.299453  1
  Ni  Ni88  1  0.257971  0.135906  0.267875  1
  Ni  Ni89  1  0.261820  0.974180  0.313976  1
  Ni  Ni90  1  0.260573  0.411084  0.281870  1
  Ni  Ni91  1  0.246395  0.834603  0.306668  1
  Ni  Ni92  1  0.260706  0.276493  0.274751  1
  Ni  Ni93  1  0.765984  0.834503  0.307712  1
  Ni  Ni94  1  0.756741  0.276543  0.274603  1
  Ni  Ni95  1  1.007779  0.500180  0.260172  1
  Ni  Ni96  1  0.990716  0.055604  0.292470  1
  Ni  Ni97  1  0.752870  0.970475  0.316393  1
  Ni  Ni98  1  0.755331  0.411238  0.281780  1
  Ni  Ni99  1  0.760963  0.694909  0.299695  1
  Ni  Ni100  1  0.763899  0.142767  0.266545  1
  Ni  Ni101  1  0.743291  0.556459  0.292346  1
  Ni  Ni102  1  0.751076  0.115586  0.325244  1
  Ni  Ni103  1  0.271966  0.556407  0.292281  1
  Ni  Ni104  1  0.253066  1.003812  0.259912  1
  Ni  Ni105  1  0.499223  0.892647  0.340388  1
  Ni  Ni106  1  0.507645  0.454078  0.374317  1
  Ni  Ni107  1  0.257832  0.812738  0.366198  1
  Ni  Ni108  1  0.256041  0.254947  0.333612  1
  Ni  Ni109  1  0.257517  0.090637  0.382354  1
  Ni  Ni110  1  0.257297  0.532931  0.348503  1
  Ni  Ni111  1  0.251891  0.952814  0.374336  1
  Ni  Ni112  1  0.248829  0.394779  0.341270  1
  Ni  Ni113  1  0.763480  0.952177  0.373215  1
  Ni  Ni114  1  0.767215  0.394964  0.341389  1
  Ni  Ni115  1  0.008389  0.614881  0.324562  1
  Ni  Ni116  1  0.014350  0.172396  0.357610  1
  Ni  Ni117  1  0.758179  0.091854  0.381596  1
  Ni  Ni118  1  0.758190  0.533011  0.348460  1
  Ni  Ni119  1  0.757300  0.813897  0.365469  1
  Ni  Ni120  1  0.760760  0.253737  0.333931  1
  Ni  Ni121  1  0.752666  0.674561  0.357722  1
  Ni  Ni122  1  0.751812  0.232292  0.390539  1
  Ni  Ni123  1  0.262565  0.674716  0.358022  1
  Ni  Ni124  1  0.268322  0.112683  0.323354  1
  Ni  Ni125  1  0.512076  0.011294  0.407253  1
  Ni  Ni126  1  0.506822  0.571938  0.441304  1
  Ni  Ni127  1  0.257471  0.931707  0.432378  1
  Ni  Ni128  1  0.258993  0.373329  0.399592  1
  Ni  Ni129  1  0.257746  0.210717  0.448638  1
  Ni  Ni130  1  0.257839  0.652022  0.415645  1
  Ni  Ni131  1  0.252029  0.070522  0.440302  1
  Ni  Ni132  1  0.252905  0.512976  0.407844  1
  Ni  Ni133  1  0.763450  0.070922  0.440852  1
  Ni  Ni134  1  0.762836  0.513001  0.407902  1
  Ni  Ni135  1  1.004994  0.733345  0.391230  1
  Ni  Ni136  1  1.006400  0.291951  0.424061  1
  Ni  Ni137  1  0.758225  0.210273  0.448905  1
  Ni  Ni138  1  0.757670  0.651614  0.415881  1
  Ni  Ni139  1  0.757640  0.930915  0.432942  1
  Ni  Ni140  1  0.756999  0.373602  0.399496  1
  Ni  Ni141  1  0.751917  0.792424  0.424825  1
  Ni  Ni142  1  0.752473  0.350897  0.457630  1
  Ni  Ni143  1  0.263294  0.792173  0.424338  1
  Ni  Ni144  1  0.263997  0.232923  0.391016  1
  Ni  Ni145  1  0.505748  0.129980  0.473898  1
  Ni  Ni146  1  0.509809  0.689972  0.508074  1
  Ni  Ni147  1  0.258091  0.049620  0.499523  1
  Ni  Ni148  1  0.257552  0.491197  0.466362  1
  Ni  Ni149  1  0.257689  0.328500  0.515674  1
  Ni  Ni150  1  0.257704  0.769935  0.482967  1
  Ni  Ni151  1  0.252326  0.188937  0.507478  1
  Ni  Ni152  1  0.251931  0.631036  0.474789  1
  Ni  Ni153  1  0.763547  0.188770  0.507209  1
  Ni  Ni154  1  0.763358  0.630859  0.474529  1
  Ni  Ni155  1  0.010399  0.851277  0.458042  1
  Ni  Ni156  1  0.007793  0.409898  0.490992  1
  Ni  Ni157  1  0.757871  0.328603  0.515602  1
  Ni  Ni158  1  0.757527  0.770500  0.482606  1
  Ni  Ni159  1  0.757843  0.050156  0.499140  1
  Ni  Ni160  1  0.758040  0.491298  0.466295  1
  Ni  Ni161  1  0.752009  0.910543  0.491150  1
  Ni  Ni162  1  0.752106  0.469044  0.524454  1
  Ni  Ni163  1  0.263575  0.910841  0.491631  1
  Ni  Ni164  1  0.263422  0.350781  0.457516  1
  Ni  Ni165  1  0.508779  0.247848  0.540674  1
  Ni  Ni166  1  0.503544  0.808411  0.574823  1
  Ni  Ni167  1  0.257764  0.168139  0.566073  1
  Ni  Ni168  1  0.257488  0.609683  0.533049  1
  Ni  Ni169  1  0.258348  0.446321  0.582407  1
  Ni  Ni170  1  0.258026  0.889188  0.549281  1
  Ni  Ni171  1  0.252699  0.306740  0.574040  1
  Ni  Ni172  1  0.252100  0.749139  0.541110  1
  Ni  Ni173  1  0.762714  0.306757  0.574104  1
  Ni  Ni174  1  0.763575  0.749544  0.541653  1
  Ni  Ni175  1  1.005207  0.970021  0.524854  1
  Ni  Ni176  1  0.009182  0.528032  0.557865  1
  Ni  Ni177  1  0.756805  0.446597  0.582312  1
  Ni  Ni178  1  0.758014  0.888366  0.549814  1
  Ni  Ni179  1  0.757883  0.167757  0.566332  1
  Ni  Ni180  1  0.757700  0.609238  0.533312  1
  Ni  Ni181  1  0.752240  0.029272  0.558676  1
  Ni  Ni182  1  0.751483  0.587247  0.590856  1
  Ni  Ni183  1  0.263694  0.029014  0.558205  1
  Ni  Ni184  1  0.263150  0.468922  0.524341  1
  Ni  Ni185  1  0.507924  0.365783  0.607544  1
  Ni  Ni186  1  0.516337  0.927129  0.641646  1
  Ni  Ni187  1  0.257432  0.286219  0.632989  1
  Ni  Ni188  1  0.257194  0.727743  0.600488  1
  Ni  Ni189  1  0.255570  0.565419  0.648175  1
  Ni  Ni190  1  0.258397  1.006041  0.616619  1
  Ni  Ni191  1  0.248308  0.425424  0.640131  1
  Ni  Ni192  1  0.252134  0.867574  0.608836  1
  Ni  Ni193  1  0.766790  0.425620  0.640262  1
  Ni  Ni194  1  0.763657  0.866905  0.607736  1
  Ni  Ni195  1  0.010586  0.088591  0.592073  1
  Ni  Ni196  1  1.001159  0.646936  0.624528  1
  Ni  Ni197  1  0.758737  0.564139  0.648498  1
  Ni  Ni198  1  0.757657  0.007266  0.615931  1
  Ni  Ni199  1  0.758259  0.286290  0.632921  1
  Ni  Ni200  1  0.758278  0.728968  0.599737  1
  Ni  Ni201  1  0.752152  0.147954  0.625575  1
  Ni  Ni202  1  0.747136  0.706956  0.658692  1
  Ni  Ni203  1  0.263878  0.148162  0.625867  1
  Ni  Ni204  1  0.263866  0.587875  0.591343  1
  Ni  Ni205  1  0.505556  0.484394  0.672269  1
  Ni  Ni206  1  0.506719  0.044707  0.707784  1
  Ni  Ni207  1  0.260533  0.405569  0.699681  1
  Ni  Ni208  1  0.262743  0.849323  0.665654  1
  Ni  Ni209  1  0.251322  0.676584  0.715341  1
  Ni  Ni210  1  0.255711  0.124699  0.681796  1
  Ni  Ni211  1  0.257830  0.542610  0.707004  1
  Ni  Ni212  1  0.249534  0.985443  0.674262  1
  Ni  Ni213  1  0.755838  0.542551  0.706848  1
  Ni  Ni214  1  0.769248  0.985394  0.675287  1
  Ni  Ni215  1  1.007090  0.208991  0.659456  1
  Ni  Ni216  1  0.024961  0.764116  0.689531  1
  Ni  Ni217  1  0.757932  0.683612  0.714040  1
  Ni  Ni218  1  0.761144  0.124427  0.682016  1
  Ni  Ni219  1  0.754608  0.405911  0.699547  1
  Ni  Ni220  1  0.753716  0.845576  0.668049  1
  Ni  Ni221  1  0.744888  0.270120  0.692692  1
  Ni  Ni222  1  0.762585  0.815973  0.722034  1
  Ni  Ni223  1  0.271016  0.269929  0.692555  1
  Ni  Ni224  1  0.264597  0.703967  0.656807  1
