# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.21096330
_cell_length_b   17.78082439
_cell_length_c   47.83805998
_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   8550.78060637
_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  0.829681  0.669388  0.331283  1
  Al  Al2  1  0.494634  0.502175  0.331881  1
  Al  Al3  1  0.595404  0.696207  0.299335  1
  Al  Al4  1  0.829546  0.171759  0.335145  1
  Al  Al5  1  0.922528  0.363485  0.299255  1
  Al  Al6  1  0.872441  0.518439  0.314071  1
  Al  Al7  1  0.314487  0.374558  0.284582  1
  Al  Al8  1  0.262704  0.528573  0.299466  1
  Al  Al9  1  0.207569  0.681444  0.316444  1
  Al  Al10  1  0.651075  0.041862  0.283963  1
  Al  Al11  1  0.588500  0.198284  0.299111  1
  Al  Al12  1  0.542649  0.350720  0.315337  1
  Al  Al13  1  0.920527  0.866897  0.299014  1
  Al  Al14  1  0.877140  0.015635  0.316471  1
  Al  Al15  1  0.314207  0.873890  0.284029  1
  Al  Al16  1  0.254304  0.031535  0.299112  1
  Al  Al17  1  0.209497  0.180715  0.316136  1
  Al  Al18  1  0.541466  0.848287  0.316710  1
  Al  Al19  1  0.686357  0.634645  0.380351  1
  Al  Al20  1  0.353722  0.468237  0.380701  1
  Al  Al21  1  0.448385  0.659793  0.349575  1
  Al  Al22  1  0.686139  0.135595  0.380471  1
  Al  Al23  1  0.783953  0.325246  0.349619  1
  Al  Al24  1  0.734043  0.480485  0.364936  1
  Al  Al25  1  0.161552  0.337305  0.334603  1
  Al  Al26  1  0.114960  0.492219  0.349719  1
  Al  Al27  1  0.067034  0.647553  0.364374  1
  Al  Al28  1  0.496818  0.005537  0.334484  1
  Al  Al29  1  0.449191  0.159314  0.349315  1
  Al  Al30  1  0.400888  0.313329  0.365103  1
  Al  Al31  1  0.782871  0.826408  0.349300  1
  Al  Al32  1  0.733796  0.981259  0.364773  1
  Al  Al33  1  0.163567  0.837949  0.334311  1
  Al  Al34  1  0.115848  0.992696  0.349342  1
  Al  Al35  1  0.067082  0.147627  0.364751  1
  Al  Al36  1  0.401025  0.814020  0.364545  1
  Al  Al37  1  0.543105  0.598420  0.428086  1
  Al  Al38  1  0.209675  0.432419  0.428525  1
  Al  Al39  1  0.305823  0.622471  0.396332  1
  Al  Al40  1  0.543480  0.098875  0.428607  1
  Al  Al41  1  0.637694  0.289744  0.396333  1
  Al  Al42  1  0.590358  0.443937  0.412142  1
  Al  Al43  1  0.019407  0.302191  0.380238  1
  Al  Al44  1  0.971199  0.456631  0.396088  1
  Al  Al45  1  0.923706  0.610631  0.411797  1
  Al  Al46  1  0.353093  0.968225  0.380524  1
  Al  Al47  1  0.304551  0.122692  0.396525  1
  Al  Al48  1  0.257182  0.277086  0.412477  1
  Al  Al49  1  0.639066  0.789114  0.396238  1
  Al  Al50  1  0.590920  0.943808  0.412404  1
  Al  Al51  1  0.019037  0.801165  0.380111  1
  Al  Al52  1  0.971698  0.955902  0.396445  1
  Al  Al53  1  0.924205  0.110464  0.412523  1
  Al  Al54  1  0.257653  0.777000  0.412331  1
  Al  Al55  1  0.400049  0.562493  0.475965  1
  Al  Al56  1  0.066315  0.396210  0.475847  1
  Al  Al57  1  0.162068  0.586824  0.444124  1
  Al  Al58  1  0.399857  0.062295  0.475863  1
  Al  Al59  1  0.495491  0.253346  0.444336  1
  Al  Al60  1  0.447538  0.407952  0.460138  1
  Al  Al61  1  0.876629  0.265913  0.428709  1
  Al  Al62  1  0.828727  0.420195  0.444232  1
  Al  Al63  1  0.780798  0.574494  0.459931  1
  Al  Al64  1  0.210077  0.931893  0.428369  1
  Al  Al65  1  0.161984  0.086696  0.444154  1
  Al  Al66  1  0.113982  0.241476  0.459973  1
  Al  Al67  1  0.495782  0.753156  0.444133  1
  Al  Al68  1  0.447896  0.907552  0.459913  1
  Al  Al69  1  0.876512  0.764840  0.427795  1
  Al  Al70  1  0.828867  0.919826  0.444047  1
  Al  Al71  1  0.780842  0.074593  0.459988  1
  Al  Al72  1  0.114316  0.740878  0.459763  1
  Al  Al73  1  0.256473  0.526458  0.523615  1
  Al  Al74  1  0.923160  0.359962  0.523637  1
  Al  Al75  1  0.018627  0.550599  0.491707  1
  Al  Al76  1  0.256799  0.025937  0.523432  1
  Al  Al77  1  0.351882  0.217128  0.491783  1
  Al  Al78  1  0.303991  0.371862  0.507698  1
  Al  Al79  1  0.733004  0.229398  0.475964  1
  Al  Al80  1  0.685195  0.383968  0.491881  1
  Al  Al81  1  0.637544  0.538302  0.507770  1
  Al  Al82  1  0.066529  0.895360  0.475634  1
  Al  Al83  1  0.018780  0.050262  0.491647  1
  Al  Al84  1  0.970857  0.205147  0.507653  1
  Al  Al85  1  0.352484  0.716831  0.491787  1
  Al  Al86  1  0.304723  0.871261  0.507587  1
  Al  Al87  1  0.733304  0.728856  0.475723  1
  Al  Al88  1  0.685834  0.883389  0.491684  1
  Al  Al89  1  0.637994  0.038079  0.507694  1
  Al  Al90  1  0.971047  0.704784  0.507521  1
  Al  Al91  1  0.113258  0.490560  0.571366  1
  Al  Al92  1  0.779848  0.323788  0.571409  1
  Al  Al93  1  0.875278  0.514441  0.539498  1
  Al  Al94  1  0.113213  0.989496  0.570520  1
  Al  Al95  1  0.208685  0.180824  0.539370  1
  Al  Al96  1  0.160700  0.335425  0.555163  1
  Al  Al97  1  0.590170  0.192933  0.523686  1
  Al  Al98  1  0.542209  0.347543  0.539596  1
  Al  Al99  1  0.494324  0.501821  0.555321  1
  Al  Al100  1  0.923369  0.859106  0.523370  1
  Al  Al101  1  0.875558  0.013848  0.539275  1
  Al  Al102  1  0.827583  0.168599  0.555137  1
  Al  Al103  1  0.208839  0.680882  0.539411  1
  Al  Al104  1  0.160961  0.835032  0.554988  1
  Al  Al105  1  0.590082  0.692626  0.523635  1
  Al  Al106  1  0.542594  0.847060  0.539352  1
  Al  Al107  1  0.494556  1.001702  0.555056  1
  Al  Al108  1  0.827488  0.668424  0.555130  1
  Al  Al109  1  0.970056  0.453917  0.618904  1
  Al  Al110  1  0.637806  0.286173  0.619239  1
  Al  Al111  1  0.732618  0.478003  0.587535  1
  Al  Al112  1  0.969838  0.952820  0.618684  1
  Al  Al113  1  0.065837  0.144795  0.586697  1
  Al  Al114  1  0.017307  0.299779  0.602914  1
  Al  Al115  1  0.446313  0.156636  0.570828  1
  Al  Al116  1  0.398876  0.311482  0.586921  1
  Al  Al117  1  0.350515  0.466052  0.603051  1
  Al  Al118  1  0.780235  0.823127  0.571078  1
  Al  Al119  1  0.732996  0.978044  0.587184  1
  Al  Al120  1  0.685396  0.132346  0.603208  1
  Al  Al121  1  0.066241  0.644691  0.587352  1
  Al  Al122  1  0.018099  0.798954  0.603170  1
  Al  Al123  1  0.446866  0.656940  0.571409  1
  Al  Al124  1  0.399689  0.811365  0.587313  1
  Al  Al125  1  0.352054  0.965435  0.603000  1
  Al  Al126  1  0.684338  0.632363  0.603506  1
  Al  Al127  1  0.826769  0.418926  0.667562  1
  Al  Al128  1  0.492992  0.250125  0.665084  1
  Al  Al129  1  0.588777  0.440936  0.634734  1
  Al  Al130  1  0.829607  0.919586  0.666448  1
  Al  Al131  1  0.922175  0.108178  0.634278  1
  Al  Al132  1  0.873357  0.261545  0.649812  1
  Al  Al133  1  0.303653  0.119611  0.618774  1
  Al  Al134  1  0.255171  0.274672  0.634674  1
  Al  Al135  1  0.207595  0.428302  0.649666  1
  Al  Al136  1  0.637025  0.786382  0.619115  1
  Al  Al137  1  0.589216  0.941574  0.633945  1
  Al  Al138  1  0.539871  0.096635  0.649606  1
  Al  Al139  1  0.921753  0.608238  0.634700  1
  Al  Al140  1  0.873916  0.762168  0.649261  1
  Al  Al141  1  0.303190  0.620634  0.618844  1
  Al  Al142  1  0.255175  0.775516  0.634527  1
  Al  Al143  1  0.207001  0.929578  0.649374  1
  Al  Al144  1  0.540766  0.595931  0.649497  1
  Al  Al145  1  0.681708  0.383609  0.714758  1
  Al  Al146  1  0.340682  0.213433  0.715256  1
  Al  Al147  1  0.446893  0.406693  0.682683  1
  Al  Al148  1  0.692658  0.888824  0.714082  1
  Al  Al149  1  0.785120  0.068130  0.685747  1
  Al  Al150  1  0.734481  0.222087  0.700379  1
  Al  Al151  1  0.161994  0.084133  0.663979  1
  Al  Al152  1  0.113741  0.239479  0.682658  1
  Al  Al153  1  0.059701  0.391901  0.700116  1
  Al  Al154  1  0.494055  0.753606  0.667657  1
  Al  Al155  1  0.448603  0.903510  0.684842  1
  Al  Al156  1  0.398731  0.057427  0.700100  1
  Al  Al157  1  0.785519  0.569008  0.685299  1
  Al  Al158  1  0.723650  0.727873  0.700243  1
  Al  Al159  1  0.160351  0.586489  0.667589  1
  Al  Al160  1  0.118693  0.736339  0.685057  1
  Al  Al161  1  0.055512  0.896137  0.700043  1
  Al  Al162  1  0.389908  0.560516  0.699951  1
  Ni  Ni163  1  0.658468  0.586871  0.332914  1
  Ni  Ni164  1  0.326437  0.420360  0.333725  1
  Ni  Ni165  1  0.429186  0.614514  0.302752  1
  Ni  Ni166  1  0.820029  0.131555  0.287904  1
  Ni  Ni167  1  0.764720  0.276346  0.302765  1
  Ni  Ni168  1  0.710843  0.432488  0.318074  1
  Ni  Ni169  1  0.143551  0.292551  0.287896  1
  Ni  Ni170  1  0.096196  0.443846  0.302941  1
  Ni  Ni171  1  0.045950  0.597221  0.317480  1
  Ni  Ni172  1  0.479623  0.961376  0.287675  1
  Ni  Ni173  1  0.430334  0.110823  0.302306  1
  Ni  Ni174  1  0.373609  0.265667  0.317816  1
  Ni  Ni175  1  0.761486  0.782159  0.302390  1
  Ni  Ni176  1  0.705962  0.933234  0.317663  1
  Ni  Ni177  1  0.141192  0.793094  0.287888  1
  Ni  Ni178  1  0.096246  0.944115  0.302479  1
  Ni  Ni179  1  0.039535  0.100335  0.317406  1
  Ni  Ni180  1  0.374325  0.764723  0.317264  1
  Ni  Ni181  1  0.519551  0.550902  0.380184  1
  Ni  Ni182  1  0.187064  0.385026  0.381342  1
  Ni  Ni183  1  0.282254  0.574923  0.348635  1
  Ni  Ni184  1  0.662916  0.089581  0.332575  1
  Ni  Ni185  1  0.613169  0.243579  0.348218  1
  Ni  Ni186  1  0.567027  0.396316  0.364181  1
  Ni  Ni187  1  0.995990  0.254331  0.331745  1
  Ni  Ni188  1  0.946084  0.410825  0.347966  1
  Ni  Ni189  1  0.899615  0.563474  0.363686  1
  Ni  Ni190  1  0.328854  0.922904  0.332547  1
  Ni  Ni191  1  0.281254  0.075626  0.348661  1
  Ni  Ni192  1  0.234340  0.229129  0.364715  1
  Ni  Ni193  1  0.616422  0.741900  0.348507  1
  Ni  Ni194  1  0.567797  0.896461  0.364697  1
  Ni  Ni195  1  0.993777  0.755342  0.331448  1
  Ni  Ni196  1  0.947924  0.909473  0.348559  1
  Ni  Ni197  1  0.901134  0.062752  0.364889  1
  Ni  Ni198  1  0.234349  0.729596  0.364695  1
  Ni  Ni199  1  0.376543  0.515379  0.428318  1
  Ni  Ni200  1  0.043000  0.349219  0.428065  1
  Ni  Ni201  1  0.138843  0.539853  0.396667  1
  Ni  Ni202  1  0.519911  0.052143  0.381360  1
  Ni  Ni203  1  0.471776  0.205943  0.396848  1
  Ni  Ni204  1  0.423626  0.360710  0.412602  1
  Ni  Ni205  1  0.853649  0.218731  0.381738  1
  Ni  Ni206  1  0.805383  0.372866  0.396800  1
  Ni  Ni207  1  0.757176  0.527352  0.412371  1
  Ni  Ni208  1  0.186562  0.884835  0.381110  1
  Ni  Ni209  1  0.138365  0.039508  0.396644  1
  Ni  Ni210  1  0.090021  0.194422  0.412327  1
  Ni  Ni211  1  0.472188  0.706376  0.396646  1
  Ni  Ni212  1  0.424334  0.860480  0.412250  1
  Ni  Ni213  1  0.852366  0.717329  0.379804  1
  Ni  Ni214  1  0.805217  0.873000  0.396509  1
  Ni  Ni215  1  0.757164  0.027612  0.412355  1
  Ni  Ni216  1  0.090918  0.693803  0.412030  1
  Ni  Ni217  1  0.233187  0.479436  0.476015  1
  Ni  Ni218  1  0.899787  0.312866  0.476114  1
  Ni  Ni219  1  0.994976  0.503695  0.443913  1
  Ni  Ni220  1  0.376616  0.015337  0.428226  1
  Ni  Ni221  1  0.328585  0.169954  0.444201  1
  Ni  Ni222  1  0.280806  0.324632  0.460089  1
  Ni  Ni223  1  0.709904  0.182421  0.428230  1
  Ni  Ni224  1  0.661671  0.336938  0.444131  1
  Ni  Ni225  1  0.614101  0.491209  0.459968  1
  Ni  Ni226  1  0.043039  0.848288  0.427945  1
  Ni  Ni227  1  0.995412  1.003133  0.444093  1
  Ni  Ni228  1  0.947533  0.157915  0.460104  1
  Ni  Ni229  1  0.329204  0.669734  0.444075  1
  Ni  Ni230  1  0.281229  0.824130  0.459976  1
  Ni  Ni231  1  0.709734  0.681697  0.428038  1
  Ni  Ni232  1  0.662586  0.836276  0.443971  1
  Ni  Ni233  1  0.614510  0.990952  0.460065  1
  Ni  Ni234  1  0.947363  0.657728  0.459711  1
  Ni  Ni235  1  0.089704  0.443324  0.523585  1
  Ni  Ni236  1  0.756597  0.276547  0.523640  1
  Ni  Ni237  1  0.851961  0.467298  0.491847  1
  Ni  Ni238  1  0.233306  0.978857  0.475871  1
  Ni  Ni239  1  0.185308  0.133746  0.491748  1
  Ni  Ni240  1  0.137364  0.288504  0.507587  1
  Ni  Ni241  1  0.566614  0.145826  0.476119  1
  Ni  Ni242  1  0.518637  0.300501  0.491959  1
  Ni  Ni243  1  0.470810  0.454999  0.507751  1
  Ni  Ni244  1  0.899933  0.812020  0.475627  1
  Ni  Ni245  1  0.852308  0.966817  0.491656  1
  Ni  Ni246  1  0.804370  0.121602  0.507578  1
  Ni  Ni247  1  0.185552  0.633764  0.491749  1
  Ni  Ni248  1  0.137786  0.787995  0.507408  1
  Ni  Ni249  1  0.566693  0.645601  0.475879  1
  Ni  Ni250  1  0.519191  0.800076  0.491748  1
  Ni  Ni251  1  0.471326  0.954616  0.507519  1
  Ni  Ni252  1  0.804193  0.621557  0.507546  1
  Ni  Ni253  1  0.946681  0.407131  0.571240  1
  Ni  Ni254  1  0.613728  0.239885  0.571412  1
  Ni  Ni255  1  0.708907  0.431010  0.539640  1
  Ni  Ni256  1  0.089874  0.942483  0.523152  1
  Ni  Ni257  1  0.042053  0.097452  0.539160  1
  Ni  Ni258  1  0.993856  0.252334  0.555259  1
  Ni  Ni259  1  0.423256  0.109471  0.523384  1
  Ni  Ni260  1  0.375291  0.264328  0.539319  1
  Ni  Ni261  1  0.327200  0.418926  0.555344  1
  Ni  Ni262  1  0.756715  0.775908  0.523396  1
  Ni  Ni263  1  0.709202  0.930519  0.539402  1
  Ni  Ni264  1  0.661306  0.085174  0.555397  1
  Ni  Ni265  1  0.042232  0.597650  0.539486  1
  Ni  Ni266  1  0.994377  0.751730  0.555344  1
  Ni  Ni267  1  0.423297  0.609587  0.523677  1
  Ni  Ni268  1  0.375860  0.763994  0.539510  1
  Ni  Ni269  1  0.328248  0.918225  0.555255  1
  Ni  Ni270  1  0.660850  0.585235  0.555623  1
  Ni  Ni271  1  0.803501  0.370891  0.619403  1
  Ni  Ni272  1  0.469080  0.203710  0.618049  1
  Ni  Ni273  1  0.565624  0.394436  0.587288  1
  Ni  Ni274  1  0.946731  0.906146  0.571065  1
  Ni  Ni275  1  0.899618  0.060995  0.586822  1
  Ni  Ni276  1  0.851615  0.215660  0.602494  1
  Ni  Ni277  1  0.280184  0.072852  0.571077  1
  Ni  Ni278  1  0.232253  0.227959  0.587037  1
  Ni  Ni279  1  0.184304  0.382255  0.602577  1
  Ni  Ni280  1  0.613818  0.739731  0.571379  1
  Ni  Ni281  1  0.566455  0.894187  0.586829  1
  Ni  Ni282  1  0.517816  0.049281  0.602342  1
  Ni  Ni283  1  0.898764  0.561579  0.587139  1
  Ni  Ni284  1  0.850983  0.715323  0.602407  1
  Ni  Ni285  1  0.280301  0.573554  0.571231  1
  Ni  Ni286  1  0.232465  0.728209  0.587010  1
  Ni  Ni287  1  0.184316  0.882379  0.602294  1
  Ni  Ni288  1  0.517381  0.548719  0.602660  1
  Ni  Ni289  1  0.661729  0.332380  0.666975  1
  Ni  Ni290  1  0.327318  0.166260  0.666606  1
  Ni  Ni291  1  0.422550  0.358451  0.634582  1
  Ni  Ni292  1  0.803183  0.870602  0.618765  1
  Ni  Ni293  1  0.756311  0.025899  0.635358  1
  Ni  Ni294  1  0.709811  0.177042  0.651647  1
  Ni  Ni295  1  0.135702  0.036488  0.617536  1
  Ni  Ni296  1  0.088832  0.192710  0.634235  1
  Ni  Ni297  1  0.039606  0.346206  0.650833  1
  Ni  Ni298  1  0.469757  0.704797  0.619266  1
  Ni  Ni299  1  0.423567  0.858929  0.635349  1
  Ni  Ni300  1  0.377472  0.011052  0.651129  1
  Ni  Ni301  1  0.756376  0.525063  0.635650  1
  Ni  Ni302  1  0.708080  0.678330  0.651698  1
  Ni  Ni303  1  0.136844  0.537892  0.619333  1
  Ni  Ni304  1  0.090105  0.692122  0.635354  1
  Ni  Ni305  1  0.042139  0.844743  0.651373  1
  Ni  Ni306  1  0.373440  0.513285  0.650744  1
  Ni  Ni307  1  0.512413  0.294938  0.711808  1
  Ni  Ni308  1  0.169408  0.124059  0.711364  1
  Ni  Ni309  1  0.281179  0.323003  0.682084  1
  Ni  Ni310  1  0.664213  0.835641  0.665963  1
  Ni  Ni311  1  0.610303  0.990934  0.680373  1
  Ni  Ni312  1  0.560009  0.143378  0.696666  1
  Ni  Ni313  1  0.996820  1.002096  0.665932  1
  Ni  Ni314  1  0.949862  0.154023  0.681692  1
  Ni  Ni315  1  0.895235  0.306056  0.696657  1
  Ni  Ni316  1  0.331221  0.668805  0.666141  1
  Ni  Ni317  1  0.275110  0.824609  0.681668  1
  Ni  Ni318  1  0.224051  0.978373  0.696208  1
  Ni  Ni319  1  0.608810  0.491601  0.681431  1
  Ni  Ni320  1  0.560315  0.640204  0.696289  1
  Ni  Ni321  1  0.997908  0.501079  0.666451  1
  Ni  Ni322  1  0.942236  0.657509  0.681680  1
  Ni  Ni323  1  0.896464  0.806392  0.695789  1
  Ni  Ni324  1  0.226389  0.473070  0.696535  1
