# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.63958532
_cell_length_b   7.33516585
_cell_length_c   48.66745088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.79069695
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   8215.67025412
_cell_formula_units_Z   42
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  0.408573  0.781540  0.296488  1
  Al  Al2  1  0.736985  0.497789  0.327999  1
  Al  Al3  1  0.088999  0.958786  0.279261  1
  Al  Al4  1  0.516995  0.546061  0.276665  1
  Al  Al5  1  0.834752  0.328983  0.297941  1
  Al  Al6  1  0.166640  0.078443  0.322230  1
  Al  Al7  1  0.308324  0.984935  0.329544  1
  Al  Al8  1  0.656486  0.463641  0.284742  1
  Al  Al9  1  0.987321  0.204581  0.307405  1
  Al  Al10  1  0.236985  0.497789  0.327999  1
  Al  Al11  1  0.588999  0.958786  0.279261  1
  Al  Al12  1  0.908573  0.781540  0.296488  1
  Al  Al13  1  0.334752  0.328983  0.297941  1
  Al  Al14  1  0.666640  0.078443  0.322230  1
  Al  Al15  1  0.016995  0.546061  0.276665  1
  Al  Al16  1  0.487321  0.204581  0.307405  1
  Al  Al17  1  0.808324  0.984935  0.329544  1
  Al  Al18  1  0.156486  0.463641  0.284742  1
  Al  Al19  1  0.391628  0.032015  0.369541  1
  Al  Al20  1  0.717521  0.823976  0.389680  1
  Al  Al21  1  0.061809  0.288703  0.346229  1
  Al  Al22  1  0.490950  0.845541  0.340681  1
  Al  Al23  1  0.819982  0.606670  0.362952  1
  Al  Al24  1  0.143798  0.371495  0.384871  1
  Al  Al25  1  0.292226  0.259547  0.396120  1
  Al  Al26  1  0.637843  0.736242  0.351534  1
  Al  Al27  1  0.962611  0.505473  0.372413  1
  Al  Al28  1  0.217521  0.823976  0.389680  1
  Al  Al29  1  0.561809  0.288703  0.346229  1
  Al  Al30  1  0.891628  0.032015  0.369541  1
  Al  Al31  1  0.319982  0.606670  0.362952  1
  Al  Al32  1  0.643798  0.371495  0.384871  1
  Al  Al33  1  0.990950  0.845541  0.340681  1
  Al  Al34  1  0.462611  0.505473  0.372413  1
  Al  Al35  1  0.792226  0.259547  0.396120  1
  Al  Al36  1  0.137843  0.736242  0.351534  1
  Al  Al37  1  0.371721  0.348485  0.434362  1
  Al  Al38  1  0.698646  0.106123  0.457198  1
  Al  Al39  1  0.045642  0.577872  0.412460  1
  Al  Al40  1  0.471293  0.129877  0.408121  1
  Al  Al41  1  0.797786  0.894695  0.430101  1
  Al  Al42  1  0.125211  0.655482  0.452758  1
  Al  Al43  1  0.271296  0.550298  0.462536  1
  Al  Al44  1  0.617539  0.025418  0.418350  1
  Al  Al45  1  0.945165  0.786199  0.440362  1
  Al  Al46  1  0.198646  0.106123  0.457198  1
  Al  Al47  1  0.545642  0.577872  0.412460  1
  Al  Al48  1  0.871721  0.348485  0.434362  1
  Al  Al49  1  0.297786  0.894695  0.430101  1
  Al  Al50  1  0.625211  0.655482  0.452758  1
  Al  Al51  1  0.971293  0.129877  0.408121  1
  Al  Al52  1  0.445165  0.786199  0.440362  1
  Al  Al53  1  0.771296  0.550298  0.462536  1
  Al  Al54  1  0.117539  0.025418  0.418350  1
  Al  Al55  1  0.351716  0.627735  0.502117  1
  Al  Al56  1  0.678166  0.386241  0.525119  1
  Al  Al57  1  0.025031  0.868695  0.479606  1
  Al  Al58  1  0.451872  0.418268  0.474721  1
  Al  Al59  1  0.778772  0.179059  0.497573  1
  Al  Al60  1  0.105186  0.941527  0.519821  1
  Al  Al61  1  0.251193  0.835066  0.529920  1
  Al  Al62  1  0.597926  0.311378  0.485085  1
  Al  Al63  1  0.924283  0.073251  0.507508  1
  Al  Al64  1  0.178166  0.386241  0.525119  1
  Al  Al65  1  0.525031  0.868695  0.479606  1
  Al  Al66  1  0.851716  0.627735  0.502117  1
  Al  Al67  1  0.278772  0.179059  0.497573  1
  Al  Al68  1  0.605186  0.941527  0.519821  1
  Al  Al69  1  0.951872  0.418268  0.474721  1
  Al  Al70  1  0.424283  0.073251  0.507508  1
  Al  Al71  1  0.751193  0.835066  0.529920  1
  Al  Al72  1  0.097926  0.311378  0.485085  1
  Al  Al73  1  0.331168  0.904285  0.570650  1
  Al  Al74  1  0.657580  0.669192  0.592598  1
  Al  Al75  1  0.004498  0.146036  0.547760  1
  Al  Al76  1  0.431841  0.702890  0.542214  1
  Al  Al77  1  0.758338  0.465883  0.564449  1
  Al  Al78  1  0.084845  0.226900  0.587180  1
  Al  Al79  1  0.231997  0.121567  0.597097  1
  Al  Al80  1  0.577979  0.597292  0.552054  1
  Al  Al81  1  0.904870  0.359928  0.574276  1
  Al  Al82  1  0.157580  0.669192  0.592598  1
  Al  Al83  1  0.504498  0.146036  0.547760  1
  Al  Al84  1  0.831168  0.904285  0.570650  1
  Al  Al85  1  0.258338  0.465883  0.564449  1
  Al  Al86  1  0.584845  0.226900  0.587180  1
  Al  Al87  1  0.931841  0.702890  0.542214  1
  Al  Al88  1  0.404870  0.359928  0.574276  1
  Al  Al89  1  0.731997  0.121567  0.597097  1
  Al  Al90  1  0.077979  0.597292  0.552054  1
  Al  Al91  1  0.311434  0.210172  0.636101  1
  Al  Al92  1  0.640672  0.970502  0.657604  1
  Al  Al93  1  0.984970  0.429231  0.614986  1
  Al  Al94  1  0.410847  0.990939  0.609541  1
  Al  Al95  1  0.739205  0.750344  0.632041  1
  Al  Al96  1  0.066149  0.515837  0.653059  1
  Al  Al97  1  0.212159  0.408600  0.663287  1
  Al  Al98  1  0.559242  0.884231  0.619603  1
  Al  Al99  1  0.884766  0.644354  0.641891  1
  Al  Al100  1  0.140672  0.970502  0.657604  1
  Al  Al101  1  0.484970  0.429231  0.614986  1
  Al  Al102  1  0.811434  0.210172  0.636101  1
  Al  Al103  1  0.239205  0.750344  0.632041  1
  Al  Al104  1  0.566149  0.515837  0.653059  1
  Al  Al105  1  0.910847  0.990939  0.609541  1
  Al  Al106  1  0.384766  0.644354  0.641891  1
  Al  Al107  1  0.712159  0.408600  0.663287  1
  Al  Al108  1  0.059242  0.884231  0.619603  1
  Al  Al109  1  0.294271  0.476416  0.704914  1
  Al  Al110  1  0.615124  0.297268  0.725087  1
  Al  Al111  1  0.966230  0.747778  0.676578  1
  Al  Al112  1  0.393585  0.275435  0.673741  1
  Al  Al113  1  0.716317  0.045750  0.697663  1
  Al  Al114  1  0.045136  0.796600  0.719054  1
  Al  Al115  1  0.188725  0.694584  0.728686  1
  Al  Al116  1  0.538576  0.167358  0.686106  1
  Al  Al117  1  0.867403  0.921054  0.707896  1
  Al  Al118  1  0.115124  0.297268  0.725087  1
  Al  Al119  1  0.466230  0.747778  0.676578  1
  Al  Al120  1  0.794271  0.476416  0.704914  1
  Al  Al121  1  0.216317  0.045750  0.697663  1
  Al  Al122  1  0.545136  0.796600  0.719054  1
  Al  Al123  1  0.893585  0.275435  0.673741  1
  Al  Al124  1  0.367403  0.921054  0.707896  1
  Al  Al125  1  0.688725  0.694584  0.728686  1
  Al  Al126  1  0.038576  0.167358  0.686106  1
  Ni  Ni127  1  0.417307  0.114930  0.276174  1
  Ni  Ni128  1  0.746721  0.895567  0.292794  1
  Ni  Ni129  1  0.075094  0.657070  0.312305  1
  Ni  Ni130  1  0.327256  0.024247  0.282189  1
  Ni  Ni131  1  0.667700  0.764175  0.304262  1
  Ni  Ni132  1  0.985697  0.536105  0.322656  1
  Ni  Ni133  1  0.497824  0.882358  0.291986  1
  Ni  Ni134  1  0.823167  0.657613  0.311844  1
  Ni  Ni135  1  0.169466  0.121911  0.274638  1
  Ni  Ni136  1  0.403944  0.075971  0.321176  1
  Ni  Ni137  1  0.749739  0.582321  0.282466  1
  Ni  Ni138  1  0.085009  0.286369  0.298357  1
  Ni  Ni139  1  0.418748  0.452789  0.287132  1
  Ni  Ni140  1  0.740879  0.220881  0.301286  1
  Ni  Ni141  1  0.071685  0.979778  0.327198  1
  Ni  Ni142  1  0.246721  0.895567  0.292794  1
  Ni  Ni143  1  0.575094  0.657070  0.312305  1
  Ni  Ni144  1  0.917307  0.114930  0.276174  1
  Ni  Ni145  1  0.485697  0.536105  0.322656  1
  Ni  Ni146  1  0.827256  0.024247  0.282189  1
  Ni  Ni147  1  0.167700  0.764175  0.304262  1
  Ni  Ni148  1  0.323167  0.657613  0.311844  1
  Ni  Ni149  1  0.669466  0.121911  0.274638  1
  Ni  Ni150  1  0.997824  0.882358  0.291986  1
  Ni  Ni151  1  0.249739  0.582321  0.282466  1
  Ni  Ni152  1  0.585009  0.286369  0.298357  1
  Ni  Ni153  1  0.903944  0.075971  0.321176  1
  Ni  Ni154  1  0.240879  0.220881  0.301286  1
  Ni  Ni155  1  0.571685  0.979778  0.327198  1
  Ni  Ni156  1  0.918748  0.452789  0.287132  1
  Ni  Ni157  1  0.401629  0.409323  0.333645  1
  Ni  Ni158  1  0.728115  0.187066  0.356865  1
  Ni  Ni159  1  0.054225  0.935129  0.379159  1
  Ni  Ni160  1  0.320368  0.283697  0.347542  1
  Ni  Ni161  1  0.639078  0.056552  0.369332  1
  Ni  Ni162  1  0.970193  0.812079  0.391017  1
  Ni  Ni163  1  0.474765  0.171518  0.357429  1
  Ni  Ni164  1  0.802946  0.935567  0.379406  1
  Ni  Ni165  1  0.145156  0.411866  0.333575  1
  Ni  Ni166  1  0.386766  0.350696  0.385065  1
  Ni  Ni167  1  0.735237  0.816929  0.340368  1
  Ni  Ni168  1  0.058441  0.598835  0.363106  1
  Ni  Ni169  1  0.396805  0.741159  0.344953  1
  Ni  Ni170  1  0.723568  0.511519  0.375864  1
  Ni  Ni171  1  0.049342  0.270043  0.395016  1
  Ni  Ni172  1  0.228115  0.187066  0.356865  1
  Ni  Ni173  1  0.554225  0.935129  0.379159  1
  Ni  Ni174  1  0.901629  0.409323  0.333645  1
  Ni  Ni175  1  0.470193  0.812079  0.391017  1
  Ni  Ni176  1  0.820368  0.283697  0.347542  1
  Ni  Ni177  1  0.139078  0.056552  0.369332  1
  Ni  Ni178  1  0.302946  0.935567  0.379406  1
  Ni  Ni179  1  0.645156  0.411866  0.333575  1
  Ni  Ni180  1  0.974765  0.171518  0.357429  1
  Ni  Ni181  1  0.235237  0.816929  0.340368  1
  Ni  Ni182  1  0.558441  0.598835  0.363106  1
  Ni  Ni183  1  0.886766  0.350696  0.385065  1
  Ni  Ni184  1  0.223568  0.511519  0.375864  1
  Ni  Ni185  1  0.549342  0.270043  0.395016  1
  Ni  Ni186  1  0.896805  0.741159  0.344953  1
  Ni  Ni187  1  0.381327  0.699749  0.401538  1
  Ni  Ni188  1  0.707944  0.453888  0.425049  1
  Ni  Ni189  1  0.034398  0.218476  0.446891  1
  Ni  Ni190  1  0.293097  0.581834  0.412428  1
  Ni  Ni191  1  0.620599  0.340527  0.435181  1
  Ni  Ni192  1  0.946349  0.104072  0.457631  1
  Ni  Ni193  1  0.459320  0.460236  0.423632  1
  Ni  Ni194  1  0.786827  0.220567  0.446915  1
  Ni  Ni195  1  0.132454  0.697730  0.402116  1
  Ni  Ni196  1  0.366000  0.652164  0.453395  1
  Ni  Ni197  1  0.711836  0.128564  0.408296  1
  Ni  Ni198  1  0.039413  0.884562  0.430889  1
  Ni  Ni199  1  0.376806  0.034195  0.418443  1
  Ni  Ni200  1  0.703578  0.795076  0.438890  1
  Ni  Ni201  1  0.030547  0.557632  0.461574  1
  Ni  Ni202  1  0.207944  0.453888  0.425049  1
  Ni  Ni203  1  0.534398  0.218476  0.446891  1
  Ni  Ni204  1  0.881327  0.699749  0.401538  1
  Ni  Ni205  1  0.446349  0.104072  0.457631  1
  Ni  Ni206  1  0.793097  0.581834  0.412428  1
  Ni  Ni207  1  0.120599  0.340527  0.435181  1
  Ni  Ni208  1  0.286827  0.220567  0.446915  1
  Ni  Ni209  1  0.632454  0.697730  0.402116  1
  Ni  Ni210  1  0.959320  0.460236  0.423632  1
  Ni  Ni211  1  0.211836  0.128564  0.408296  1
  Ni  Ni212  1  0.539413  0.884562  0.430889  1
  Ni  Ni213  1  0.866000  0.652164  0.453395  1
  Ni  Ni214  1  0.203578  0.795076  0.438890  1
  Ni  Ni215  1  0.530547  0.557632  0.461574  1
  Ni  Ni216  1  0.876806  0.034195  0.418443  1
  Ni  Ni217  1  0.361406  0.979103  0.469457  1
  Ni  Ni218  1  0.688202  0.744535  0.491363  1
  Ni  Ni219  1  0.014959  0.507442  0.513562  1
  Ni  Ni220  1  0.274097  0.865236  0.480010  1
  Ni  Ni221  1  0.601348  0.626864  0.502367  1
  Ni  Ni222  1  0.928792  0.388138  0.524573  1
  Ni  Ni223  1  0.439125  0.744974  0.491300  1
  Ni  Ni224  1  0.764747  0.507881  0.513480  1
  Ni  Ni225  1  0.112718  0.983426  0.469057  1
  Ni  Ni226  1  0.345856  0.934151  0.521638  1
  Ni  Ni227  1  0.692864  0.411313  0.476452  1
  Ni  Ni228  1  0.019100  0.174367  0.498892  1
  Ni  Ni229  1  0.357179  0.318544  0.483443  1
  Ni  Ni230  1  0.683810  0.079605  0.506053  1
  Ni  Ni231  1  0.010375  0.841098  0.528246  1
  Ni  Ni232  1  0.188202  0.744535  0.491363  1
  Ni  Ni233  1  0.514959  0.507442  0.513562  1
  Ni  Ni234  1  0.861406  0.979103  0.469457  1
  Ni  Ni235  1  0.428792  0.388138  0.524573  1
  Ni  Ni236  1  0.774097  0.865236  0.480010  1
  Ni  Ni237  1  0.101348  0.626864  0.502367  1
  Ni  Ni238  1  0.264747  0.507881  0.513480  1
  Ni  Ni239  1  0.612718  0.983426  0.469057  1
  Ni  Ni240  1  0.939125  0.744974  0.491300  1
  Ni  Ni241  1  0.192864  0.411313  0.476452  1
  Ni  Ni242  1  0.519100  0.174367  0.498892  1
  Ni  Ni243  1  0.845856  0.934151  0.521638  1
  Ni  Ni244  1  0.183810  0.079605  0.506053  1
  Ni  Ni245  1  0.510375  0.841098  0.528246  1
  Ni  Ni246  1  0.857179  0.318544  0.483443  1
  Ni  Ni247  1  0.341662  0.272179  0.535575  1
  Ni  Ni248  1  0.668545  0.035057  0.557963  1
  Ni  Ni249  1  0.995270  0.799828  0.579700  1
  Ni  Ni250  1  0.256317  0.148665  0.547411  1
  Ni  Ni251  1  0.583216  0.911264  0.569673  1
  Ni  Ni252  1  0.910320  0.671787  0.592245  1
  Ni  Ni253  1  0.416234  0.031821  0.558437  1
  Ni  Ni254  1  0.742936  0.793083  0.580922  1
  Ni  Ni255  1  0.090615  0.269204  0.536096  1
  Ni  Ni256  1  0.326519  0.218856  0.587095  1
  Ni  Ni257  1  0.672640  0.696270  0.543538  1
  Ni  Ni258  1  0.999599  0.457711  0.565858  1
  Ni  Ni259  1  0.336940  0.602241  0.550755  1
  Ni  Ni260  1  0.663677  0.364050  0.573798  1
  Ni  Ni261  1  0.990002  0.125065  0.596562  1
  Ni  Ni262  1  0.168545  0.035057  0.557963  1
  Ni  Ni263  1  0.495270  0.799828  0.579700  1
  Ni  Ni264  1  0.841662  0.272179  0.535575  1
  Ni  Ni265  1  0.410320  0.671787  0.592245  1
  Ni  Ni266  1  0.756317  0.148665  0.547411  1
  Ni  Ni267  1  0.083216  0.911264  0.569673  1
  Ni  Ni268  1  0.242936  0.793083  0.580922  1
  Ni  Ni269  1  0.590615  0.269204  0.536096  1
  Ni  Ni270  1  0.916234  0.031821  0.558437  1
  Ni  Ni271  1  0.172640  0.696270  0.543538  1
  Ni  Ni272  1  0.499599  0.457711  0.565858  1
  Ni  Ni273  1  0.826519  0.218856  0.587095  1
  Ni  Ni274  1  0.163677  0.364050  0.573798  1
  Ni  Ni275  1  0.490002  0.125065  0.596562  1
  Ni  Ni276  1  0.836940  0.602241  0.550755  1
  Ni  Ni277  1  0.321758  0.558285  0.603041  1
  Ni  Ni278  1  0.648618  0.314910  0.625693  1
  Ni  Ni279  1  0.975574  0.067941  0.649263  1
  Ni  Ni280  1  0.234861  0.438246  0.613871  1
  Ni  Ni281  1  0.560913  0.199029  0.637276  1
  Ni  Ni282  1  0.883222  0.967501  0.658830  1
  Ni  Ni283  1  0.398510  0.318004  0.624420  1
  Ni  Ni284  1  0.728343  0.080255  0.648022  1
  Ni  Ni285  1  0.069924  0.556126  0.602633  1
  Ni  Ni286  1  0.306102  0.511023  0.656816  1
  Ni  Ni287  1  0.653907  0.979599  0.608977  1
  Ni  Ni288  1  0.980879  0.740409  0.628902  1
  Ni  Ni289  1  0.316802  0.895683  0.619796  1
  Ni  Ni290  1  0.644248  0.657869  0.641930  1
  Ni  Ni291  1  0.971458  0.424058  0.664310  1
  Ni  Ni292  1  0.148618  0.314910  0.625693  1
  Ni  Ni293  1  0.475574  0.067941  0.649263  1
  Ni  Ni294  1  0.821758  0.558285  0.603041  1
  Ni  Ni295  1  0.383222  0.967501  0.658830  1
  Ni  Ni296  1  0.734861  0.438246  0.613871  1
  Ni  Ni297  1  0.060913  0.199029  0.637276  1
  Ni  Ni298  1  0.228343  0.080255  0.648022  1
  Ni  Ni299  1  0.569924  0.556126  0.602633  1
  Ni  Ni300  1  0.898510  0.318004  0.624420  1
  Ni  Ni301  1  0.153907  0.979599  0.608977  1
  Ni  Ni302  1  0.480879  0.740409  0.628902  1
  Ni  Ni303  1  0.806102  0.511023  0.656816  1
  Ni  Ni304  1  0.144248  0.657869  0.641930  1
  Ni  Ni305  1  0.471458  0.424058  0.664310  1
  Ni  Ni306  1  0.816802  0.895683  0.619796  1
  Ni  Ni307  1  0.301654  0.839308  0.670855  1
  Ni  Ni308  1  0.627756  0.596956  0.692827  1
  Ni  Ni309  1  0.955345  0.360934  0.710908  1
  Ni  Ni310  1  0.214788  0.720561  0.681845  1
  Ni  Ni311  1  0.536100  0.494471  0.700122  1
  Ni  Ni312  1  0.875107  0.236017  0.720458  1
  Ni  Ni313  1  0.380222  0.596886  0.692697  1
  Ni  Ni314  1  0.705522  0.370932  0.711366  1
  Ni  Ni315  1  0.058156  0.840068  0.670477  1
  Ni  Ni316  1  0.283844  0.789464  0.716659  1
  Ni  Ni317  1  0.632504  0.273560  0.677550  1
  Ni  Ni318  1  0.957972  0.033672  0.700983  1
  Ni  Ni319  1  0.299063  0.171872  0.685185  1
  Ni  Ni320  1  0.623923  0.945832  0.705192  1
  Ni  Ni321  1  0.953416  0.670806  0.722245  1
  Ni  Ni322  1  0.127756  0.596956  0.692827  1
  Ni  Ni323  1  0.455345  0.360934  0.710908  1
  Ni  Ni324  1  0.801654  0.839308  0.670855  1
  Ni  Ni325  1  0.375107  0.236017  0.720458  1
  Ni  Ni326  1  0.714788  0.720561  0.681845  1
  Ni  Ni327  1  0.036100  0.494471  0.700122  1
  Ni  Ni328  1  0.205522  0.370932  0.711366  1
  Ni  Ni329  1  0.558156  0.840068  0.670477  1
  Ni  Ni330  1  0.880222  0.596886  0.692697  1
  Ni  Ni331  1  0.132504  0.273560  0.677550  1
  Ni  Ni332  1  0.457972  0.033672  0.700983  1
  Ni  Ni333  1  0.783844  0.789464  0.716659  1
  Ni  Ni334  1  0.123923  0.945832  0.705192  1
  Ni  Ni335  1  0.453416  0.670806  0.722245  1
  Ni  Ni336  1  0.799063  0.171872  0.685185  1
