# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72655803
_cell_length_b   19.22894760
_cell_length_c   49.79921152
_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   'Al108 Ni180'
_cell_volume   7398.84711211
_cell_formula_units_Z   36
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  0.487801  0.989154  0.329402  1
  Al  Al2  1  0.487801  0.620685  0.299312  1
  Al  Al3  1  0.487801  0.259012  0.279265  1
  Al  Al4  1  0.773605  0.960425  0.291577  1
  Al  Al5  1  0.760919  0.674672  0.340697  1
  Al  Al6  1  0.761895  0.314467  0.314658  1
  Al  Al7  1  0.201997  0.960425  0.291577  1
  Al  Al8  1  0.214682  0.674672  0.340697  1
  Al  Al9  1  0.213707  0.314467  0.314658  1
  Al  Al10  1  0.987801  0.848304  0.352111  1
  Al  Al11  1  0.987801  0.496292  0.328436  1
  Al  Al12  1  0.987801  0.113274  0.299915  1
  Al  Al13  1  0.264403  0.815589  0.314767  1
  Al  Al14  1  0.273302  0.458982  0.291272  1
  Al  Al15  1  0.259640  0.174702  0.340750  1
  Al  Al16  1  0.711198  0.815589  0.314767  1
  Al  Al17  1  0.702300  0.458982  0.291272  1
  Al  Al18  1  0.715961  0.174702  0.340750  1
  Al  Al19  1  0.487801  0.076610  0.399213  1
  Al  Al20  1  0.487801  0.709402  0.375692  1
  Al  Al21  1  0.487801  0.357953  0.351090  1
  Al  Al22  1  0.760023  0.033415  0.363990  1
  Al  Al23  1  0.758068  0.754650  0.410555  1
  Al  Al24  1  0.757864  0.394412  0.386917  1
  Al  Al25  1  0.215578  0.033415  0.363990  1
  Al  Al26  1  0.217534  0.754650  0.410555  1
  Al  Al27  1  0.217737  0.394412  0.386917  1
  Al  Al28  1  0.987801  0.937660  0.422368  1
  Al  Al29  1  0.987801  0.568980  0.400582  1
  Al  Al30  1  0.987801  0.216941  0.374450  1
  Al  Al31  1  0.258189  0.893917  0.386978  1
  Al  Al32  1  0.259716  0.533807  0.363872  1
  Al  Al33  1  0.258044  0.254598  0.410618  1
  Al  Al34  1  0.717412  0.893917  0.386978  1
  Al  Al35  1  0.715885  0.533807  0.363872  1
  Al  Al36  1  0.717558  0.254598  0.410618  1
  Al  Al37  1  0.487801  0.151904  0.470995  1
  Al  Al38  1  0.487801  0.798630  0.445755  1
  Al  Al39  1  0.487801  0.430595  0.423624  1
  Al  Al40  1  0.758890  0.114374  0.434889  1
  Al  Al41  1  0.758847  0.834476  0.482617  1
  Al  Al42  1  0.758370  0.474434  0.458759  1
  Al  Al43  1  0.216711  0.114374  0.434889  1
  Al  Al44  1  0.216755  0.834476  0.482617  1
  Al  Al45  1  0.217231  0.474434  0.458759  1
  Al  Al46  1  0.987801  1.011234  0.494915  1
  Al  Al47  1  0.987801  0.658984  0.469761  1
  Al  Al48  1  0.987801  0.291602  0.446835  1
  Al  Al49  1  0.258636  0.974216  0.458832  1
  Al  Al50  1  0.258615  0.614516  0.434915  1
  Al  Al51  1  0.258510  0.334732  0.482471  1
  Al  Al52  1  0.716966  0.974216  0.458832  1
  Al  Al53  1  0.716986  0.614516  0.434915  1
  Al  Al54  1  0.717092  0.334732  0.482471  1
  Al  Al55  1  0.487801  0.238050  0.541865  1
  Al  Al56  1  0.487801  0.870530  0.519066  1
  Al  Al57  1  0.487801  0.518372  0.493765  1
  Al  Al58  1  0.758543  0.195048  0.506131  1
  Al  Al59  1  0.758755  0.914867  0.553893  1
  Al  Al60  1  0.758656  0.555299  0.529953  1
  Al  Al61  1  0.217059  0.195048  0.506131  1
  Al  Al62  1  0.216846  0.914867  0.553893  1
  Al  Al63  1  0.216946  0.555299  0.529953  1
  Al  Al64  1  0.987801  0.098778  0.564921  1
  Al  Al65  1  0.987801  0.730927  0.543108  1
  Al  Al66  1  0.987801  0.377842  0.517664  1
  Al  Al67  1  0.258604  0.055198  0.529866  1
  Al  Al68  1  0.258804  0.694977  0.506202  1
  Al  Al69  1  0.258929  0.415231  0.553861  1
  Al  Al70  1  0.716998  0.055198  0.529866  1
  Al  Al71  1  0.716797  0.694977  0.506202  1
  Al  Al72  1  0.716672  0.415231  0.553861  1
  Al  Al73  1  0.487801  0.312516  0.614439  1
  Al  Al74  1  0.487801  0.959899  0.588348  1
  Al  Al75  1  0.487801  0.592031  0.566335  1
  Al  Al76  1  0.757777  0.275089  0.578034  1
  Al  Al77  1  0.759543  0.995984  0.624538  1
  Al  Al78  1  0.757999  0.635693  0.601781  1
  Al  Al79  1  0.217825  0.275089  0.578034  1
  Al  Al80  1  0.216058  0.995984  0.624538  1
  Al  Al81  1  0.217602  0.635693  0.601781  1
  Al  Al82  1  0.987801  0.171780  0.637184  1
  Al  Al83  1  0.987801  0.818987  0.613571  1
  Al  Al84  1  0.987801  0.453111  0.589618  1
  Al  Al85  1  0.257622  0.135270  0.601578  1
  Al  Al86  1  0.257915  0.774782  0.578346  1
  Al  Al87  1  0.259867  0.496157  0.624745  1
  Al  Al88  1  0.717979  0.135270  0.601578  1
  Al  Al89  1  0.717687  0.774782  0.578346  1
  Al  Al90  1  0.715734  0.496157  0.624745  1
  Al  Al91  1  0.487801  0.420476  0.688903  1
  Al  Al92  1  0.487801  0.036348  0.659880  1
  Al  Al93  1  0.487801  0.680847  0.636702  1
  Al  Al94  1  0.759500  0.354365  0.648068  1
  Al  Al95  1  0.775064  0.069464  0.697112  1
  Al  Al96  1  0.766256  0.714368  0.674544  1
  Al  Al97  1  0.216102  0.354365  0.648068  1
  Al  Al98  1  0.200538  0.069464  0.697112  1
  Al  Al99  1  0.209345  0.714368  0.674544  1
  Al  Al100  1  0.987801  0.270731  0.708948  1
  Al  Al101  1  0.987801  0.919773  0.689337  1
  Al  Al102  1  0.987801  0.540315  0.659209  1
  Al  Al103  1  0.262863  0.215282  0.674317  1
  Al  Al104  1  0.261538  0.854660  0.648069  1
  Al  Al105  1  0.274738  0.568109  0.696964  1
  Al  Al106  1  0.712738  0.215282  0.674317  1
  Al  Al107  1  0.714063  0.854660  0.648069  1
  Al  Al108  1  0.700863  0.568109  0.696964  1
  Ni  Ni109  1  0.487801  0.772336  0.282153  1
  Ni  Ni110  1  0.487801  0.493157  0.327611  1
  Ni  Ni111  1  0.487801  0.139957  0.305655  1
  Ni  Ni112  1  0.237550  0.698718  0.293638  1
  Ni  Ni113  1  0.234827  0.424349  0.338944  1
  Ni  Ni114  1  0.249585  0.065215  0.317319  1
  Ni  Ni115  1  0.738052  0.698718  0.293638  1
  Ni  Ni116  1  0.740775  0.424349  0.338944  1
  Ni  Ni117  1  0.726017  0.065215  0.317319  1
  Ni  Ni118  1  0.487801  0.732655  0.328775  1
  Ni  Ni119  1  0.487801  0.373754  0.304284  1
  Ni  Ni120  1  0.487801  1.024461  0.283334  1
  Ni  Ni121  1  0.487801  0.895629  0.299768  1
  Ni  Ni122  1  0.487801  0.609031  0.348869  1
  Ni  Ni123  1  0.487801  0.252890  0.327441  1
  Ni  Ni124  1  0.987801  0.997665  0.327179  1
  Ni  Ni125  1  0.987801  0.632060  0.307250  1
  Ni  Ni126  1  0.987801  0.278761  0.281061  1
  Ni  Ni127  1  0.744934  0.923540  0.339357  1
  Ni  Ni128  1  0.739776  0.564741  0.316884  1
  Ni  Ni129  1  0.752675  0.196584  0.293426  1
  Ni  Ni130  1  0.230667  0.923540  0.339357  1
  Ni  Ni131  1  0.235825  0.564741  0.316884  1
  Ni  Ni132  1  0.222926  0.196584  0.293426  1
  Ni  Ni133  1  0.987801  0.875765  0.305642  1
  Ni  Ni134  1  0.987801  0.522131  0.282126  1
  Ni  Ni135  1  0.987801  0.231652  0.327499  1
  Ni  Ni136  1  0.987801  0.751336  0.323574  1
  Ni  Ni137  1  0.987801  0.396611  0.301593  1
  Ni  Ni138  1  0.987801  0.110625  0.350141  1
  Ni  Ni139  1  0.487801  0.857401  0.349511  1
  Ni  Ni140  1  0.487801  0.577467  0.398360  1
  Ni  Ni141  1  0.487801  0.212742  0.375795  1
  Ni  Ni142  1  0.246535  0.784686  0.362732  1
  Ni  Ni143  1  0.244055  0.503604  0.411322  1
  Ni  Ni144  1  0.233859  0.143851  0.387513  1
  Ni  Ni145  1  0.729067  0.784686  0.362732  1
  Ni  Ni146  1  0.731546  0.503604  0.411322  1
  Ni  Ni147  1  0.741742  0.143851  0.387513  1
  Ni  Ni148  1  0.487801  0.817952  0.398668  1
  Ni  Ni149  1  0.487801  0.459244  0.376870  1
  Ni  Ni150  1  0.487801  0.096691  0.353043  1
  Ni  Ni151  1  0.487801  0.969609  0.375540  1
  Ni  Ni152  1  0.487801  0.691142  0.422509  1
  Ni  Ni153  1  0.487801  0.329519  0.397434  1
  Ni  Ni154  1  0.987801  0.071003  0.399325  1
  Ni  Ni155  1  0.987801  0.719151  0.374054  1
  Ni  Ni156  1  0.987801  0.351779  0.350378  1
  Ni  Ni157  1  0.733404  1.003866  0.411309  1
  Ni  Ni158  1  0.744922  0.643703  0.387645  1
  Ni  Ni159  1  0.734703  0.285664  0.362755  1
  Ni  Ni160  1  0.242197  1.003866  0.411309  1
  Ni  Ni161  1  0.230680  0.643703  0.387645  1
  Ni  Ni162  1  0.240898  0.285664  0.362755  1
  Ni  Ni163  1  0.987801  0.956199  0.375389  1
  Ni  Ni164  1  0.987801  0.597804  0.354769  1
  Ni  Ni165  1  0.987801  0.319951  0.399979  1
  Ni  Ni166  1  0.987801  0.830896  0.398908  1
  Ni  Ni167  1  0.987801  0.467918  0.374027  1
  Ni  Ni168  1  0.987801  0.189377  0.420996  1
  Ni  Ni169  1  0.487801  0.930919  0.423631  1
  Ni  Ni170  1  0.487801  0.651763  0.470911  1
  Ni  Ni171  1  0.487801  0.297367  0.446288  1
  Ni  Ni172  1  0.232189  0.864527  0.434778  1
  Ni  Ni173  1  0.232603  0.585144  0.482398  1
  Ni  Ni174  1  0.242121  0.224785  0.458469  1
  Ni  Ni175  1  0.743412  0.864527  0.434778  1
  Ni  Ni176  1  0.742999  0.585144  0.482398  1
  Ni  Ni177  1  0.733481  0.224785  0.458469  1
  Ni  Ni178  1  0.487801  0.899303  0.472497  1
  Ni  Ni179  1  0.487801  0.537886  0.446993  1
  Ni  Ni180  1  0.487801  0.179777  0.424518  1
  Ni  Ni181  1  0.487801  0.049262  0.445366  1
  Ni  Ni182  1  0.487801  0.769695  0.492477  1
  Ni  Ni183  1  0.487801  0.411092  0.470392  1
  Ni  Ni184  1  0.987801  0.157435  0.469835  1
  Ni  Ni185  1  0.987801  0.791449  0.447298  1
  Ni  Ni186  1  0.987801  0.436948  0.422583  1
  Ni  Ni187  1  0.742454  0.084624  0.482416  1
  Ni  Ni188  1  0.732068  0.725263  0.458390  1
  Ni  Ni189  1  0.742463  0.364183  0.434744  1
  Ni  Ni190  1  0.233147  0.084624  0.482416  1
  Ni  Ni191  1  0.243533  0.725263  0.458390  1
  Ni  Ni192  1  0.233139  0.364183  0.434744  1
  Ni  Ni193  1  0.987801  0.039264  0.448412  1
  Ni  Ni194  1  0.987801  0.678322  0.422885  1
  Ni  Ni195  1  0.987801  0.397986  0.470886  1
  Ni  Ni196  1  0.987801  0.909301  0.468958  1
  Ni  Ni197  1  0.987801  0.550985  0.446900  1
  Ni  Ni198  1  0.987801  0.271332  0.493784  1
  Ni  Ni199  1  0.487801  1.017594  0.493904  1
  Ni  Ni200  1  0.487801  0.737910  0.541523  1
  Ni  Ni201  1  0.487801  0.372263  0.518848  1
  Ni  Ni202  1  0.242812  0.944298  0.506402  1
  Ni  Ni203  1  0.243291  0.665024  0.554011  1
  Ni  Ni204  1  0.233613  0.304980  0.530172  1
  Ni  Ni205  1  0.732789  0.944298  0.506402  1
  Ni  Ni206  1  0.732310  0.665024  0.554011  1
  Ni  Ni207  1  0.741988  0.304980  0.530172  1
  Ni  Ni208  1  0.487801  0.978486  0.541971  1
  Ni  Ni209  1  0.487801  0.620162  0.519811  1
  Ni  Ni210  1  0.487801  0.258501  0.494846  1
  Ni  Ni211  1  0.487801  0.131861  0.517703  1
  Ni  Ni212  1  0.487801  0.850940  0.565932  1
  Ni  Ni213  1  0.487801  0.490326  0.540318  1
  Ni  Ni214  1  0.987801  0.232527  0.542239  1
  Ni  Ni215  1  0.987801  0.877496  0.517946  1
  Ni  Ni216  1  0.987801  0.511877  0.494906  1
  Ni  Ni217  1  0.733514  0.165602  0.553812  1
  Ni  Ni218  1  0.743446  0.804127  0.530472  1
  Ni  Ni219  1  0.732995  0.445020  0.506276  1
  Ni  Ni220  1  0.242087  0.165602  0.553812  1
  Ni  Ni221  1  0.232155  0.804127  0.530472  1
  Ni  Ni222  1  0.242606  0.445020  0.506276  1
  Ni  Ni223  1  0.987801  0.118594  0.518233  1
  Ni  Ni224  1  0.987801  0.759744  0.496363  1
  Ni  Ni225  1  0.987801  0.480272  0.543433  1
  Ni  Ni226  1  0.987801  0.991610  0.541611  1
  Ni  Ni227  1  0.987801  0.630221  0.516327  1
  Ni  Ni228  1  0.987801  0.349918  0.564184  1
  Ni  Ni229  1  0.487801  0.093128  0.565910  1
  Ni  Ni230  1  0.487801  0.810734  0.614784  1
  Ni  Ni231  1  0.487801  0.458465  0.589428  1
  Ni  Ni232  1  0.232345  1.025980  0.577219  1
  Ni  Ni233  1  0.230279  0.744558  0.626214  1
  Ni  Ni234  1  0.241771  0.385625  0.601281  1
  Ni  Ni235  1  0.743256  1.025980  0.577219  1
  Ni  Ni236  1  0.745323  0.744558  0.626214  1
  Ni  Ni237  1  0.733831  0.385625  0.601281  1
  Ni  Ni238  1  0.487801  0.062100  0.614291  1
  Ni  Ni239  1  0.487801  0.698749  0.589923  1
  Ni  Ni240  1  0.487801  0.340209  0.567763  1
  Ni  Ni241  1  0.487801  0.209664  0.588826  1
  Ni  Ni242  1  0.487801  0.932259  0.634385  1
  Ni  Ni243  1  0.487801  0.573331  0.613213  1
  Ni  Ni244  1  0.987801  0.316550  0.612820  1
  Ni  Ni245  1  0.987801  0.952325  0.590177  1
  Ni  Ni246  1  0.987801  0.598615  0.565170  1
  Ni  Ni247  1  0.740628  0.243628  0.625877  1
  Ni  Ni248  1  0.731736  0.885578  0.601218  1
  Ni  Ni249  1  0.742053  0.525727  0.577457  1
  Ni  Ni250  1  0.234973  0.243628  0.625877  1
  Ni  Ni251  1  0.243866  0.885578  0.601218  1
  Ni  Ni252  1  0.233549  0.525727  0.577457  1
  Ni  Ni253  1  0.987801  0.200146  0.590950  1
  Ni  Ni254  1  0.987801  0.838164  0.566530  1
  Ni  Ni255  1  0.987801  0.560469  0.613255  1
  Ni  Ni256  1  0.987801  0.070399  0.611576  1
  Ni  Ni257  1  0.987801  0.711361  0.590235  1
  Ni  Ni258  1  0.987801  0.432339  0.635759  1
  Ni  Ni259  1  0.487801  0.177652  0.638669  1
  Ni  Ni260  1  0.487801  0.895004  0.682311  1
  Ni  Ni261  1  0.487801  0.532365  0.661133  1
  Ni  Ni262  1  0.239199  0.105755  0.649501  1
  Ni  Ni263  1  0.226215  0.832524  0.694961  1
  Ni  Ni264  1  0.224660  0.463874  0.671233  1
  Ni  Ni265  1  0.736403  0.105755  0.649501  1
  Ni  Ni266  1  0.749387  0.832524  0.694961  1
  Ni  Ni267  1  0.750941  0.463874  0.671233  1
  Ni  Ni268  1  0.487801  0.134656  0.687896  1
  Ni  Ni269  1  0.487801  0.777755  0.665311  1
  Ni  Ni270  1  0.487801  0.418745  0.638650  1
  Ni  Ni271  1  0.487801  0.297653  0.661832  1
  Ni  Ni272  1  0.487801  1.007241  0.706022  1
  Ni  Ni273  1  0.487801  0.653565  0.683030  1
  Ni  Ni274  1  0.987801  0.388121  0.683272  1
  Ni  Ni275  1  0.987801  0.036063  0.660610  1
  Ni  Ni276  1  0.987801  0.673363  0.639568  1
  Ni  Ni277  1  0.717298  0.332832  0.695554  1
  Ni  Ni278  1  0.730199  0.965326  0.671070  1
  Ni  Ni279  1  0.731348  0.606408  0.649341  1
  Ni  Ni280  1  0.258304  0.332832  0.695554  1
  Ni  Ni281  1  0.245402  0.965326  0.671070  1
  Ni  Ni282  1  0.244253  0.606408  0.649341  1
  Ni  Ni283  1  0.987801  0.276174  0.660905  1
  Ni  Ni284  1  0.987801  0.920397  0.639600  1
  Ni  Ni285  1  0.987801  0.633504  0.689114  1
  Ni  Ni286  1  0.987801  0.155328  0.683902  1
  Ni  Ni287  1  0.987801  0.797957  0.661245  1
  Ni  Ni288  1  0.987801  0.504361  0.705246  1
