# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20886347
_cell_length_b   17.78176773
_cell_length_c   47.82077726
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al162 Ni162'
_cell_volume   8546.38701866
_cell_formula_units_Z   162
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  0.967905  0.703711  0.288034  1
  Al  Al2  1  0.484276  0.499999  0.335405  1
  Al  Al3  1  0.574858  0.696377  0.303072  1
  Al  Al4  1  0.971313  0.203921  0.288000  1
  Al  Al5  1  0.912058  0.360550  0.303194  1
  Al  Al6  1  0.864489  0.511138  0.320198  1
  Al  Al7  1  0.304583  0.372936  0.288491  1
  Al  Al8  1  0.246743  0.527325  0.303291  1
  Al  Al9  1  0.195583  0.678345  0.320861  1
  Al  Al10  1  0.636596  0.037401  0.287895  1
  Al  Al11  1  0.574964  0.195341  0.302838  1
  Al  Al12  1  0.531430  0.347615  0.319297  1
  Al  Al13  1  0.907639  0.861996  0.302831  1
  Al  Al14  1  0.864952  0.011280  0.320476  1
  Al  Al15  1  0.302700  0.870589  0.287978  1
  Al  Al16  1  0.241235  0.028650  0.302887  1
  Al  Al17  1  0.199263  0.177947  0.320567  1
  Al  Al18  1  0.531116  0.844792  0.320541  1
  Al  Al19  1  0.818145  0.668189  0.338290  1
  Al  Al20  1  0.341944  0.465296  0.384708  1
  Al  Al21  1  0.437762  0.656188  0.353345  1
  Al  Al22  1  0.818725  0.168777  0.338564  1
  Al  Al23  1  0.771449  0.322101  0.353555  1
  Al  Al24  1  0.721926  0.478103  0.368595  1
  Al  Al25  1  0.151283  0.334814  0.338637  1
  Al  Al26  1  0.103097  0.489713  0.353567  1
  Al  Al27  1  0.055792  0.644201  0.368639  1
  Al  Al28  1  0.485447  1.002380  0.338474  1
  Al  Al29  1  0.437812  0.156163  0.353317  1
  Al  Al30  1  0.389606  0.310634  0.369084  1
  Al  Al31  1  0.770365  0.822714  0.353339  1
  Al  Al32  1  0.721983  0.978013  0.368772  1
  Al  Al33  1  0.151417  0.835704  0.338500  1
  Al  Al34  1  0.103991  0.989271  0.353344  1
  Al  Al35  1  0.055819  0.144238  0.368924  1
  Al  Al36  1  0.388630  0.811448  0.368803  1
  Al  Al37  1  0.674138  0.631445  0.384221  1
  Al  Al38  1  0.198241  0.429205  0.432707  1
  Al  Al39  1  0.293889  0.619391  0.400378  1
  Al  Al40  1  0.674393  0.132490  0.384382  1
  Al  Al41  1  0.625990  0.286814  0.400200  1
  Al  Al42  1  0.578716  0.440981  0.416079  1
  Al  Al43  1  0.008466  0.298564  0.384678  1
  Al  Al44  1  0.960086  0.453044  0.400524  1
  Al  Al45  1  0.912475  0.607385  0.416420  1
  Al  Al46  1  0.341440  0.965295  0.384585  1
  Al  Al47  1  0.293032  0.119554  0.400591  1
  Al  Al48  1  0.245725  0.274044  0.416611  1
  Al  Al49  1  0.626471  0.786370  0.400470  1
  Al  Al50  1  0.579069  0.940823  0.416499  1
  Al  Al51  1  0.007837  0.798425  0.384523  1
  Al  Al52  1  0.959477  0.952981  0.400467  1
  Al  Al53  1  0.912324  0.107357  0.416496  1
  Al  Al54  1  0.245889  0.773959  0.416496  1
  Al  Al55  1  0.531433  0.595425  0.432045  1
  Al  Al56  1  0.054770  0.392917  0.480086  1
  Al  Al57  1  0.150507  0.583602  0.448344  1
  Al  Al58  1  0.531651  0.095917  0.432685  1
  Al  Al59  1  0.483741  0.250274  0.448388  1
  Al  Al60  1  0.435802  0.404826  0.464211  1
  Al  Al61  1  0.864730  0.262795  0.432594  1
  Al  Al62  1  0.816793  0.417125  0.448212  1
  Al  Al63  1  0.768925  0.571465  0.463959  1
  Al  Al64  1  0.198278  0.929101  0.432629  1
  Al  Al65  1  0.150322  0.083525  0.448328  1
  Al  Al66  1  0.102408  0.238199  0.464169  1
  Al  Al67  1  0.483833  0.750120  0.448192  1
  Al  Al68  1  0.435888  0.904727  0.464126  1
  Al  Al69  1  0.864922  0.762286  0.432451  1
  Al  Al70  1  0.816898  0.916921  0.448216  1
  Al  Al71  1  0.768901  0.071624  0.464047  1
  Al  Al72  1  0.102674  0.737915  0.464039  1
  Al  Al73  1  0.388210  0.559390  0.480059  1
  Al  Al74  1  0.911217  0.356834  0.527651  1
  Al  Al75  1  0.007022  0.547407  0.495963  1
  Al  Al76  1  0.388125  0.059402  0.480110  1
  Al  Al77  1  0.340292  0.214002  0.496063  1
  Al  Al78  1  0.292492  0.368571  0.511987  1
  Al  Al79  1  0.721182  0.226355  0.479952  1
  Al  Al80  1  0.673393  0.380874  0.495854  1
  Al  Al81  1  0.625687  0.535264  0.511759  1
  Al  Al82  1  0.054748  0.892537  0.479901  1
  Al  Al83  1  0.006807  0.047298  0.495782  1
  Al  Al84  1  0.958881  0.202074  0.511699  1
  Al  Al85  1  0.340605  0.713791  0.495913  1
  Al  Al86  1  0.292804  0.868304  0.511796  1
  Al  Al87  1  0.721364  0.725937  0.479870  1
  Al  Al88  1  0.673777  0.880560  0.495894  1
  Al  Al89  1  0.625970  0.035182  0.511894  1
  Al  Al90  1  0.959280  0.701820  0.511805  1
  Al  Al91  1  0.244902  0.523186  0.527893  1
  Al  Al92  1  0.768010  0.320793  0.575417  1
  Al  Al93  1  0.863348  0.511390  0.543521  1
  Al  Al94  1  0.244999  0.023048  0.527702  1
  Al  Al95  1  0.196968  0.177758  0.543582  1
  Al  Al96  1  0.148957  0.332240  0.559303  1
  Al  Al97  1  0.578264  0.189894  0.527869  1
  Al  Al98  1  0.530334  0.344450  0.543728  1
  Al  Al99  1  0.482384  0.498698  0.559401  1
  Al  Al100  1  0.911527  0.856297  0.527641  1
  Al  Al101  1  0.863510  0.010995  0.543492  1
  Al  Al102  1  0.815529  0.165512  0.559229  1
  Al  Al103  1  0.197133  0.677698  0.543669  1
  Al  Al104  1  0.149173  0.831961  0.559237  1
  Al  Al105  1  0.578180  0.689677  0.527682  1
  Al  Al106  1  0.530576  0.844183  0.543546  1
  Al  Al107  1  0.482616  0.998673  0.559322  1
  Al  Al108  1  0.815515  0.665508  0.559230  1
  Al  Al109  1  0.101497  0.487459  0.575479  1
  Al  Al110  1  0.625575  0.283354  0.623281  1
  Al  Al111  1  0.720808  0.475002  0.591479  1
  Al  Al112  1  0.101261  0.986733  0.574804  1
  Al  Al113  1  0.053780  0.141735  0.590832  1
  Al  Al114  1  0.004950  0.296792  0.606929  1
  Al  Al115  1  0.434806  0.153896  0.575547  1
  Al  Al116  1  0.387571  0.308264  0.591614  1
  Al  Al117  1  0.339280  0.462512  0.607559  1
  Al  Al118  1  0.768221  0.820332  0.575318  1
  Al  Al119  1  0.721140  0.974904  0.591425  1
  Al  Al120  1  0.672895  0.129379  0.607464  1
  Al  Al121  1  0.054332  0.641747  0.591494  1
  Al  Al122  1  0.006085  0.795984  0.607377  1
  Al  Al123  1  0.434905  0.653850  0.575513  1
  Al  Al124  1  0.387671  0.808279  0.591464  1
  Al  Al125  1  0.339823  0.962477  0.607212  1
  Al  Al126  1  0.672214  0.629454  0.607414  1
  Al  Al127  1  0.957713  0.450970  0.622919  1
  Al  Al128  1  0.482228  0.249217  0.671699  1
  Al  Al129  1  0.576689  0.438353  0.638841  1
  Al  Al130  1  0.957942  0.949801  0.622941  1
  Al  Al131  1  0.909676  0.105585  0.638587  1
  Al  Al132  1  0.861763  0.258488  0.653685  1
  Al  Al133  1  0.292219  0.116828  0.623035  1
  Al  Al134  1  0.243418  0.271664  0.638624  1
  Al  Al135  1  0.195471  0.425844  0.653524  1
  Al  Al136  1  0.624961  0.783427  0.623193  1
  Al  Al137  1  0.577453  0.938413  0.638486  1
  Al  Al138  1  0.528307  0.092455  0.653749  1
  Al  Al139  1  0.909761  0.605530  0.638653  1
  Al  Al140  1  0.861872  0.759164  0.653537  1
  Al  Al141  1  0.291882  0.616796  0.623259  1
  Al  Al142  1  0.243228  0.772392  0.638673  1
  Al  Al143  1  0.195320  0.926450  0.653598  1
  Al  Al144  1  0.528336  0.592438  0.653569  1
  Al  Al145  1  0.815159  0.416843  0.671602  1
  Al  Al146  1  0.333822  0.212779  0.718770  1
  Al  Al147  1  0.439926  0.399127  0.689405  1
  Al  Al148  1  0.816760  0.916531  0.671310  1
  Al  Al149  1  0.774450  0.066096  0.689381  1
  Al  Al150  1  0.714488  0.222281  0.704264  1
  Al  Al151  1  0.149449  0.081922  0.668292  1
  Al  Al152  1  0.100993  0.236589  0.686619  1
  Al  Al153  1  0.044694  0.390279  0.704004  1
  Al  Al154  1  0.482290  0.750567  0.671598  1
  Al  Al155  1  0.437546  0.900089  0.689178  1
  Al  Al156  1  0.385073  0.054059  0.704079  1
  Al  Al157  1  0.772859  0.566351  0.689097  1
  Al  Al158  1  0.711732  0.724195  0.704006  1
  Al  Al159  1  0.149291  0.583414  0.671611  1
  Al  Al160  1  0.106300  0.733255  0.689144  1
  Al  Al161  1  0.045406  0.892480  0.704015  1
  Al  Al162  1  0.377698  0.557417  0.704102  1
  Ni  Ni163  1  0.795442  0.622898  0.291894  1
  Ni  Ni164  1  0.315404  0.418383  0.337630  1
  Ni  Ni165  1  0.415288  0.611704  0.306326  1
  Ni  Ni166  1  0.800443  0.124512  0.291784  1
  Ni  Ni167  1  0.751589  0.273695  0.306506  1
  Ni  Ni168  1  0.699370  0.428764  0.321702  1
  Ni  Ni169  1  0.136648  0.290976  0.291672  1
  Ni  Ni170  1  0.084875  0.441114  0.306659  1
  Ni  Ni171  1  0.028662  0.594773  0.321356  1
  Ni  Ni172  1  0.466368  0.957792  0.291771  1
  Ni  Ni173  1  0.417246  0.107516  0.306254  1
  Ni  Ni174  1  0.362319  0.263056  0.321815  1
  Ni  Ni175  1  0.750096  0.774443  0.306374  1
  Ni  Ni176  1  0.694407  0.929100  0.321631  1
  Ni  Ni177  1  0.132400  0.790904  0.291797  1
  Ni  Ni178  1  0.083367  0.940897  0.306268  1
  Ni  Ni179  1  0.028180  0.095792  0.321738  1
  Ni  Ni180  1  0.360104  0.762674  0.321758  1
  Ni  Ni181  1  0.649385  0.585184  0.335485  1
  Ni  Ni182  1  0.175436  0.382178  0.385418  1
  Ni  Ni183  1  0.270966  0.571782  0.352569  1
  Ni  Ni184  1  0.651304  0.086507  0.336410  1
  Ni  Ni185  1  0.601854  0.240240  0.352021  1
  Ni  Ni186  1  0.555227  0.393933  0.368029  1
  Ni  Ni187  1  0.985205  0.252294  0.336682  1
  Ni  Ni188  1  0.935944  0.405658  0.352701  1
  Ni  Ni189  1  0.889285  0.559850  0.368667  1
  Ni  Ni190  1  0.317678  0.919906  0.336492  1
  Ni  Ni191  1  0.269428  0.072308  0.352597  1
  Ni  Ni192  1  0.222966  0.226234  0.368837  1
  Ni  Ni193  1  0.602575  0.739309  0.352651  1
  Ni  Ni194  1  0.555927  0.893350  0.368708  1
  Ni  Ni195  1  0.983169  0.753173  0.336508  1
  Ni  Ni196  1  0.935490  0.905669  0.352547  1
  Ni  Ni197  1  0.889202  0.059871  0.368709  1
  Ni  Ni198  1  0.222714  0.726616  0.368777  1
  Ni  Ni199  1  0.507589  0.547796  0.384076  1
  Ni  Ni200  1  0.031584  0.345860  0.432392  1
  Ni  Ni201  1  0.127033  0.536554  0.400811  1
  Ni  Ni202  1  0.508295  0.049045  0.385400  1
  Ni  Ni203  1  0.460111  0.202975  0.400843  1
  Ni  Ni204  1  0.412083  0.357704  0.416635  1
  Ni  Ni205  1  0.841973  0.215423  0.385475  1
  Ni  Ni206  1  0.793533  0.370056  0.400660  1
  Ni  Ni207  1  0.745551  0.524334  0.416249  1
  Ni  Ni208  1  0.174737  0.882163  0.385409  1
  Ni  Ni209  1  0.126707  0.036269  0.400761  1
  Ni  Ni210  1  0.078683  0.191019  0.416557  1
  Ni  Ni211  1  0.460221  0.703249  0.400573  1
  Ni  Ni212  1  0.412127  0.857739  0.416469  1
  Ni  Ni213  1  0.841332  0.715119  0.385156  1
  Ni  Ni214  1  0.793266  0.869816  0.400662  1
  Ni  Ni215  1  0.745173  0.024609  0.416385  1
  Ni  Ni216  1  0.079145  0.690791  0.416348  1
  Ni  Ni217  1  0.364908  0.512308  0.432375  1
  Ni  Ni218  1  0.887980  0.309737  0.480077  1
  Ni  Ni219  1  0.983585  0.500307  0.448273  1
  Ni  Ni220  1  0.364961  0.012384  0.432375  1
  Ni  Ni221  1  0.316901  0.166859  0.448362  1
  Ni  Ni222  1  0.269228  0.321404  0.464303  1
  Ni  Ni223  1  0.698043  0.179412  0.432170  1
  Ni  Ni224  1  0.649848  0.333869  0.448064  1
  Ni  Ni225  1  0.602207  0.488189  0.463946  1
  Ni  Ni226  1  0.031499  0.845610  0.432238  1
  Ni  Ni227  1  0.983424  1.000154  0.448194  1
  Ni  Ni228  1  0.935673  0.154858  0.464108  1
  Ni  Ni229  1  0.317416  0.666619  0.448171  1
  Ni  Ni230  1  0.269422  0.821196  0.464156  1
  Ni  Ni231  1  0.697988  0.678803  0.432079  1
  Ni  Ni232  1  0.650306  0.833501  0.448199  1
  Ni  Ni233  1  0.602545  0.988055  0.464212  1
  Ni  Ni234  1  0.935871  0.654644  0.464127  1
  Ni  Ni235  1  0.221585  0.476172  0.480256  1
  Ni  Ni236  1  0.744626  0.273471  0.527665  1
  Ni  Ni237  1  0.840140  0.464215  0.495853  1
  Ni  Ni238  1  0.221535  0.975991  0.480139  1
  Ni  Ni239  1  0.173551  0.130653  0.495956  1
  Ni  Ni240  1  0.125646  0.285278  0.511771  1
  Ni  Ni241  1  0.554820  0.142851  0.480245  1
  Ni  Ni242  1  0.506935  0.297381  0.496057  1
  Ni  Ni243  1  0.459079  0.451856  0.511832  1
  Ni  Ni244  1  0.888157  0.809260  0.480012  1
  Ni  Ni245  1  0.840289  0.963945  0.495845  1
  Ni  Ni246  1  0.792358  0.118613  0.511660  1
  Ni  Ni247  1  0.173822  0.630613  0.496000  1
  Ni  Ni248  1  0.126001  0.784998  0.511672  1
  Ni  Ni249  1  0.554789  0.642589  0.479901  1
  Ni  Ni250  1  0.507200  0.797157  0.495870  1
  Ni  Ni251  1  0.459334  0.951718  0.511752  1
  Ni  Ni252  1  0.792353  0.618563  0.511616  1
  Ni  Ni253  1  0.077994  0.440102  0.527766  1
  Ni  Ni254  1  0.601900  0.236940  0.575569  1
  Ni  Ni255  1  0.696955  0.427955  0.543616  1
  Ni  Ni256  1  0.078044  0.939646  0.527423  1
  Ni  Ni257  1  0.030108  0.094491  0.543297  1
  Ni  Ni258  1  0.981904  0.249212  0.559305  1
  Ni  Ni259  1  0.411566  0.106563  0.527799  1
  Ni  Ni260  1  0.363817  0.261121  0.543782  1
  Ni  Ni261  1  0.315712  0.415537  0.559749  1
  Ni  Ni262  1  0.744767  0.773078  0.527580  1
  Ni  Ni263  1  0.697219  0.927633  0.543616  1
  Ni  Ni264  1  0.649067  0.082215  0.559661  1
  Ni  Ni265  1  0.030421  0.594562  0.543678  1
  Ni  Ni266  1  0.982455  0.748810  0.559567  1
  Ni  Ni267  1  0.411490  0.606504  0.527772  1
  Ni  Ni268  1  0.363987  0.760956  0.543651  1
  Ni  Ni269  1  0.316177  0.915271  0.559476  1
  Ni  Ni270  1  0.648853  0.582227  0.559593  1
  Ni  Ni271  1  0.934843  0.404100  0.575238  1
  Ni  Ni272  1  0.458241  0.201313  0.623450  1
  Ni  Ni273  1  0.553922  0.391483  0.591382  1
  Ni  Ni274  1  0.934984  0.903263  0.575293  1
  Ni  Ni275  1  0.887370  0.058101  0.591096  1
  Ni  Ni276  1  0.839344  0.212577  0.606526  1
  Ni  Ni277  1  0.268547  0.070043  0.575355  1
  Ni  Ni278  1  0.220197  0.224964  0.591199  1
  Ni  Ni279  1  0.172004  0.379237  0.606610  1
  Ni  Ni280  1  0.601781  0.736841  0.575435  1
  Ni  Ni281  1  0.554328  0.891298  0.591144  1
  Ni  Ni282  1  0.506077  0.045768  0.606644  1
  Ni  Ni283  1  0.886866  0.558605  0.591146  1
  Ni  Ni284  1  0.838886  0.712507  0.606556  1
  Ni  Ni285  1  0.268684  0.570213  0.575583  1
  Ni  Ni286  1  0.220735  0.724883  0.591291  1
  Ni  Ni287  1  0.172334  0.879380  0.606507  1
  Ni  Ni288  1  0.505688  0.545603  0.606681  1
  Ni  Ni289  1  0.791364  0.368082  0.623389  1
  Ni  Ni290  1  0.316570  0.163762  0.670700  1
  Ni  Ni291  1  0.411620  0.355184  0.639726  1
  Ni  Ni292  1  0.791398  0.867723  0.623131  1
  Ni  Ni293  1  0.744941  0.022476  0.639486  1
  Ni  Ni294  1  0.695896  0.174571  0.655703  1
  Ni  Ni295  1  0.123660  0.033780  0.621876  1
  Ni  Ni296  1  0.076896  0.189761  0.638251  1
  Ni  Ni297  1  0.027843  0.343391  0.654743  1
  Ni  Ni298  1  0.457766  0.701547  0.623369  1
  Ni  Ni299  1  0.411363  0.855957  0.639450  1
  Ni  Ni300  1  0.364766  0.007896  0.655277  1
  Ni  Ni301  1  0.744360  0.522476  0.639460  1
  Ni  Ni302  1  0.695792  0.675010  0.655509  1
  Ni  Ni303  1  0.124698  0.534958  0.623333  1
  Ni  Ni304  1  0.078293  0.689100  0.639492  1
  Ni  Ni305  1  0.029829  0.841796  0.655493  1
  Ni  Ni306  1  0.362953  0.508087  0.655619  1
  Ni  Ni307  1  0.652769  0.331482  0.670678  1
  Ni  Ni308  1  0.159108  0.122874  0.715556  1
  Ni  Ni309  1  0.263525  0.321232  0.685469  1
  Ni  Ni310  1  0.652571  0.832661  0.670418  1
  Ni  Ni311  1  0.599904  0.986209  0.685496  1
  Ni  Ni312  1  0.549584  0.136275  0.700564  1
  Ni  Ni313  1  0.985391  0.999062  0.669992  1
  Ni  Ni314  1  0.936184  0.152286  0.686155  1
  Ni  Ni315  1  0.880784  0.303665  0.700490  1
  Ni  Ni316  1  0.319453  0.665918  0.670382  1
  Ni  Ni317  1  0.263376  0.821227  0.685727  1
  Ni  Ni318  1  0.211169  0.975813  0.700316  1
  Ni  Ni319  1  0.597051  0.487357  0.685822  1
  Ni  Ni320  1  0.547621  0.637250  0.700218  1
  Ni  Ni321  1  0.986056  0.498911  0.670269  1
  Ni  Ni322  1  0.930916  0.654010  0.685701  1
  Ni  Ni323  1  0.881816  0.804149  0.700226  1
  Ni  Ni324  1  0.214664  0.469759  0.700311  1
