# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.37759194
_cell_length_b   12.35763290
_cell_length_c   49.85291837
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al80 Ni240'
_cell_volume   7471.32544498
_cell_formula_units_Z   80
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  0.147515  0.150121  0.322860  1
  Al  Al2  1  0.649389  0.651716  0.328053  1
  Al  Al3  1  0.746140  0.250848  0.282175  1
  Al  Al4  1  0.248288  0.748665  0.282152  1
  Al  Al5  1  0.009164  0.011678  0.281329  1
  Al  Al6  1  0.495759  0.498155  0.282334  1
  Al  Al7  1  0.405401  0.902940  0.328532  1
  Al  Al8  1  0.900760  0.407507  0.328492  1
  Al  Al9  1  0.108383  0.858955  0.349956  1
  Al  Al10  1  0.608687  0.358218  0.349553  1
  Al  Al11  1  0.697628  0.943563  0.304079  1
  Al  Al12  1  0.191302  0.445132  0.304073  1
  Al  Al13  1  0.856755  0.110395  0.349940  1
  Al  Al14  1  0.355988  0.610744  0.349507  1
  Al  Al15  1  0.442851  0.193647  0.304088  1
  Al  Al16  1  0.941091  0.700012  0.304070  1
  Al  Al17  1  0.982279  0.983977  0.418334  1
  Al  Al18  1  0.482566  0.484296  0.417953  1
  Al  Al19  1  0.568029  0.069237  0.372931  1
  Al  Al20  1  0.067242  0.570040  0.372899  1
  Al  Al21  1  0.816712  0.818583  0.373239  1
  Al  Al22  1  0.316300  0.318119  0.372455  1
  Al  Al23  1  0.233359  0.735581  0.418619  1
  Al  Al24  1  0.734000  0.234959  0.418625  1
  Al  Al25  1  0.940974  0.691794  0.441106  1
  Al  Al26  1  0.440909  0.191868  0.440784  1
  Al  Al27  1  0.524144  0.775799  0.395615  1
  Al  Al28  1  0.026225  0.274366  0.394787  1
  Al  Al29  1  0.690294  0.942426  0.441092  1
  Al  Al30  1  0.190327  0.442351  0.440729  1
  Al  Al31  1  0.272539  0.028069  0.394742  1
  Al  Al32  1  0.774125  0.525870  0.395595  1
  Al  Al33  1  0.815129  0.816216  0.509202  1
  Al  Al34  1  0.314815  0.315917  0.508923  1
  Al  Al35  1  0.398880  0.901495  0.463681  1
  Al  Al36  1  0.900107  0.400260  0.463696  1
  Al  Al37  1  0.648992  0.650230  0.463955  1
  Al  Al38  1  0.148701  0.149993  0.463869  1
  Al  Al39  1  0.065946  0.566372  0.509567  1
  Al  Al40  1  0.565386  0.066939  0.509575  1
  Al  Al41  1  0.773252  0.523462  0.531891  1
  Al  Al42  1  0.273095  0.023519  0.531833  1
  Al  Al43  1  0.357005  0.607782  0.486337  1
  Al  Al44  1  0.856951  0.107757  0.486596  1
  Al  Al45  1  0.522587  0.774097  0.531858  1
  Al  Al46  1  0.022614  0.273974  0.531803  1
  Al  Al47  1  0.106602  0.858121  0.486572  1
  Al  Al48  1  0.606623  0.358211  0.486332  1
  Al  Al49  1  0.647929  0.648390  0.600438  1
  Al  Al50  1  0.147365  0.147918  0.599659  1
  Al  Al51  1  0.231939  0.732476  0.554923  1
  Al  Al52  1  0.731717  0.232712  0.554931  1
  Al  Al53  1  0.481379  0.482095  0.554725  1
  Al  Al54  1  0.981408  0.982073  0.555103  1
  Al  Al55  1  0.898420  0.398631  0.600642  1
  Al  Al56  1  0.398262  0.898799  0.600628  1
  Al  Al57  1  0.604794  0.355156  0.622711  1
  Al  Al58  1  0.105680  0.854295  0.623036  1
  Al  Al59  1  0.189354  0.439098  0.577549  1
  Al  Al60  1  0.689415  0.939116  0.577222  1
  Al  Al61  1  0.354867  0.605057  0.622699  1
  Al  Al62  1  0.854055  0.105905  0.623014  1
  Al  Al63  1  0.938512  0.690009  0.577189  1
  Al  Al64  1  0.438532  0.189907  0.577527  1
  Al  Al65  1  0.479560  0.479487  0.691809  1
  Al  Al66  1  0.981564  0.981438  0.691366  1
  Al  Al67  1  0.064234  0.566591  0.645768  1
  Al  Al68  1  0.566333  0.064477  0.645801  1
  Al  Al69  1  0.315470  0.315480  0.647088  1
  Al  Al70  1  0.815160  0.815208  0.646178  1
  Al  Al71  1  0.731949  0.232678  0.691855  1
  Al  Al72  1  0.232937  0.731650  0.691876  1
  Al  Al73  1  0.432771  0.172741  0.712722  1
  Al  Al74  1  0.927790  0.676993  0.713602  1
  Al  Al75  1  0.022410  0.270336  0.668154  1
  Al  Al76  1  0.520384  0.770557  0.667942  1
  Al  Al77  1  0.173082  0.432303  0.712628  1
  Al  Al78  1  0.677238  0.927456  0.713596  1
  Al  Al79  1  0.770531  0.520252  0.667938  1
  Al  Al80  1  0.270280  0.022284  0.668082  1
  Ni  Ni81  1  0.274373  0.276472  0.327388  1
  Ni  Ni82  1  0.774175  0.776432  0.328354  1
  Ni  Ni83  1  0.869359  0.377794  0.281978  1
  Ni  Ni84  1  0.375230  0.871910  0.282024  1
  Ni  Ni85  1  0.193355  0.948281  0.302530  1
  Ni  Ni86  1  0.690620  0.446328  0.303750  1
  Ni  Ni87  1  0.606310  0.859197  0.350099  1
  Ni  Ni88  1  0.106159  0.362869  0.349462  1
  Ni  Ni89  1  0.367058  0.369409  0.281187  1
  Ni  Ni90  1  0.879253  0.881635  0.279763  1
  Ni  Ni91  1  0.779858  0.280095  0.327748  1
  Ni  Ni92  1  0.277833  0.782199  0.327712  1
  Ni  Ni93  1  0.941617  0.943581  0.372751  1
  Ni  Ni94  1  0.623219  0.625686  0.281083  1
  Ni  Ni95  1  0.530565  0.028418  0.327446  1
  Ni  Ni96  1  0.026202  0.532768  0.327408  1
  Ni  Ni97  1  0.945703  0.195944  0.302589  1
  Ni  Ni98  1  0.443936  0.693028  0.303752  1
  Ni  Ni99  1  0.360941  0.108314  0.349569  1
  Ni  Ni100  1  0.857244  0.608462  0.350103  1
  Ni  Ni101  1  0.023962  0.026243  0.328483  1
  Ni  Ni102  1  0.525037  0.527267  0.328449  1
  Ni  Ni103  1  0.624038  0.123015  0.281518  1
  Ni  Ni104  1  0.120565  0.626447  0.281529  1
  Ni  Ni105  1  0.231565  0.987429  0.348865  1
  Ni  Ni106  1  0.731480  0.484076  0.350143  1
  Ni  Ni107  1  0.821235  0.070142  0.303180  1
  Ni  Ni108  1  0.316439  0.568491  0.303310  1
  Ni  Ni109  1  0.237447  0.239822  0.281838  1
  Ni  Ni110  1  0.750776  0.753237  0.280967  1
  Ni  Ni111  1  0.655175  0.154738  0.327813  1
  Ni  Ni112  1  0.152593  0.657348  0.327814  1
  Ni  Ni113  1  0.324801  0.065889  0.303764  1
  Ni  Ni114  1  0.816414  0.573246  0.303779  1
  Ni  Ni115  1  0.732675  0.984127  0.349970  1
  Ni  Ni116  1  0.232367  0.485792  0.349598  1
  Ni  Ni117  1  0.985125  0.233686  0.348929  1
  Ni  Ni118  1  0.481886  0.733476  0.350166  1
  Ni  Ni119  1  0.566119  0.318837  0.303359  1
  Ni  Ni120  1  0.067679  0.823627  0.303210  1
  Ni  Ni121  1  0.899368  0.901757  0.327462  1
  Ni  Ni122  1  0.399924  0.402216  0.327396  1
  Ni  Ni123  1  0.502048  0.996201  0.280854  1
  Ni  Ni124  1  0.993536  0.504738  0.280810  1
  Ni  Ni125  1  0.063404  0.327261  0.303631  1
  Ni  Ni126  1  0.570859  0.818877  0.303759  1
  Ni  Ni127  1  0.483839  0.234532  0.349598  1
  Ni  Ni128  1  0.982097  0.734900  0.349938  1
  Ni  Ni129  1  0.107222  0.108814  0.418454  1
  Ni  Ni130  1  0.607813  0.609340  0.418625  1
  Ni  Ni131  1  0.692817  0.194381  0.373279  1
  Ni  Ni132  1  0.192455  0.694754  0.373275  1
  Ni  Ni133  1  0.023726  0.776390  0.395482  1
  Ni  Ni134  1  0.524059  0.276282  0.395242  1
  Ni  Ni135  1  0.439778  0.692901  0.440770  1
  Ni  Ni136  1  0.940414  0.191985  0.441063  1
  Ni  Ni137  1  0.190742  0.192823  0.370319  1
  Ni  Ni138  1  0.691736  0.693611  0.373132  1
  Ni  Ni139  1  0.608722  0.110296  0.418361  1
  Ni  Ni140  1  0.108617  0.610374  0.418342  1
  Ni  Ni141  1  0.773948  0.775301  0.463789  1
  Ni  Ni142  1  0.441572  0.443568  0.372501  1
  Ni  Ni143  1  0.357637  0.861544  0.418205  1
  Ni  Ni144  1  0.859878  0.359305  0.418229  1
  Ni  Ni145  1  0.774586  0.025530  0.395501  1
  Ni  Ni146  1  0.274445  0.525823  0.395240  1
  Ni  Ni147  1  0.190553  0.941908  0.441086  1
  Ni  Ni148  1  0.691470  0.441288  0.440821  1
  Ni  Ni149  1  0.857646  0.859259  0.418604  1
  Ni  Ni150  1  0.357226  0.358834  0.418024  1
  Ni  Ni151  1  0.442806  0.944708  0.373645  1
  Ni  Ni152  1  0.942884  0.444634  0.373604  1
  Ni  Ni153  1  0.065342  0.817202  0.441059  1
  Ni  Ni154  1  0.565542  0.317265  0.440800  1
  Ni  Ni155  1  0.648979  0.901154  0.395596  1
  Ni  Ni156  1  0.148922  0.401706  0.395100  1
  Ni  Ni157  1  0.066692  0.068560  0.373112  1
  Ni  Ni158  1  0.566782  0.568640  0.373455  1
  Ni  Ni159  1  0.483745  0.985626  0.418842  1
  Ni  Ni160  1  0.984087  0.485265  0.418811  1
  Ni  Ni161  1  0.148985  0.901274  0.395593  1
  Ni  Ni162  1  0.650101  0.400049  0.395280  1
  Ni  Ni163  1  0.565600  0.817037  0.441065  1
  Ni  Ni164  1  0.066541  0.316014  0.440587  1
  Ni  Ni165  1  0.815678  0.066818  0.441081  1
  Ni  Ni166  1  0.315712  0.566996  0.440805  1
  Ni  Ni167  1  0.399952  0.150737  0.395185  1
  Ni  Ni168  1  0.899402  0.650750  0.395610  1
  Ni  Ni169  1  0.732789  0.734427  0.418427  1
  Ni  Ni170  1  0.231777  0.233562  0.416903  1
  Ni  Ni171  1  0.316292  0.821699  0.372900  1
  Ni  Ni172  1  0.819620  0.318364  0.372932  1
  Ni  Ni173  1  0.899484  0.150779  0.395563  1
  Ni  Ni174  1  0.398190  0.651905  0.395227  1
  Ni  Ni175  1  0.314522  0.068092  0.440550  1
  Ni  Ni176  1  0.815639  0.567063  0.441040  1
  Ni  Ni177  1  0.940083  0.941058  0.509549  1
  Ni  Ni178  1  0.439943  0.440952  0.509152  1
  Ni  Ni179  1  0.524342  0.026069  0.464141  1
  Ni  Ni180  1  0.024787  0.525608  0.464123  1
  Ni  Ni181  1  0.856648  0.608114  0.486448  1
  Ni  Ni182  1  0.355981  0.108651  0.486238  1
  Ni  Ni183  1  0.272816  0.523689  0.531839  1
  Ni  Ni184  1  0.772463  0.024289  0.532045  1
  Ni  Ni185  1  0.023734  0.025081  0.463773  1
  Ni  Ni186  1  0.523891  0.525264  0.463459  1
  Ni  Ni187  1  0.440373  0.941918  0.509151  1
  Ni  Ni188  1  0.940842  0.441448  0.509152  1
  Ni  Ni189  1  0.606450  0.607196  0.554706  1
  Ni  Ni190  1  0.273452  0.274873  0.463035  1
  Ni  Ni191  1  0.190761  0.691516  0.509355  1
  Ni  Ni192  1  0.690471  0.191822  0.509363  1
  Ni  Ni193  1  0.606942  0.857793  0.486477  1
  Ni  Ni194  1  0.107435  0.357173  0.486267  1
  Ni  Ni195  1  0.023429  0.773337  0.532069  1
  Ni  Ni196  1  0.522825  0.273715  0.531866  1
  Ni  Ni197  1  0.690160  0.691117  0.509400  1
  Ni  Ni198  1  0.190037  0.191030  0.509393  1
  Ni  Ni199  1  0.274371  0.775925  0.464057  1
  Ni  Ni200  1  0.774654  0.275645  0.464068  1
  Ni  Ni201  1  0.897698  0.649061  0.531839  1
  Ni  Ni202  1  0.397405  0.149201  0.531901  1
  Ni  Ni203  1  0.481326  0.733436  0.486342  1
  Ni  Ni204  1  0.981658  0.232989  0.486458  1
  Ni  Ni205  1  0.898902  0.900200  0.464060  1
  Ni  Ni206  1  0.398673  0.399978  0.463572  1
  Ni  Ni207  1  0.315541  0.816788  0.509538  1
  Ni  Ni208  1  0.815817  0.316516  0.509552  1
  Ni  Ni209  1  0.982192  0.732681  0.486587  1
  Ni  Ni210  1  0.481816  0.232953  0.486354  1
  Ni  Ni211  1  0.398013  0.648653  0.531850  1
  Ni  Ni212  1  0.898088  0.148589  0.532064  1
  Ni  Ni213  1  0.648149  0.898585  0.531870  1
  Ni  Ni214  1  0.148293  0.398295  0.531924  1
  Ni  Ni215  1  0.231820  0.982852  0.486482  1
  Ni  Ni216  1  0.732276  0.482517  0.486384  1
  Ni  Ni217  1  0.565068  0.566150  0.509052  1
  Ni  Ni218  1  0.064945  0.066021  0.509178  1
  Ni  Ni219  1  0.149610  0.650820  0.463851  1
  Ni  Ni220  1  0.649441  0.151007  0.463863  1
  Ni  Ni221  1  0.731487  0.983371  0.486568  1
  Ni  Ni222  1  0.231734  0.482994  0.486317  1
  Ni  Ni223  1  0.147728  0.898962  0.532033  1
  Ni  Ni224  1  0.647782  0.398924  0.531843  1
  Ni  Ni225  1  0.772927  0.773301  0.600483  1
  Ni  Ni226  1  0.273038  0.273403  0.600828  1
  Ni  Ni227  1  0.356680  0.857664  0.555031  1
  Ni  Ni228  1  0.856992  0.357354  0.555045  1
  Ni  Ni229  1  0.688755  0.439435  0.577296  1
  Ni  Ni230  1  0.188458  0.939803  0.577465  1
  Ni  Ni231  1  0.103102  0.356400  0.622096  1
  Ni  Ni232  1  0.604389  0.854957  0.622681  1
  Ni  Ni233  1  0.856512  0.857289  0.554641  1
  Ni  Ni234  1  0.356322  0.357077  0.554687  1
  Ni  Ni235  1  0.273453  0.773835  0.600532  1
  Ni  Ni236  1  0.773406  0.273882  0.600543  1
  Ni  Ni237  1  0.440184  0.440283  0.645946  1
  Ni  Ni238  1  0.106223  0.107007  0.554511  1
  Ni  Ni239  1  0.022721  0.524586  0.600116  1
  Ni  Ni240  1  0.524107  0.023198  0.600141  1
  Ni  Ni241  1  0.438864  0.689327  0.577303  1
  Ni  Ni242  1  0.939255  0.189028  0.577507  1
  Ni  Ni243  1  0.854742  0.604642  0.622702  1
  Ni  Ni244  1  0.356105  0.103444  0.622155  1
  Ni  Ni245  1  0.522948  0.523355  0.600342  1
  Ni  Ni246  1  0.022679  0.023021  0.600747  1
  Ni  Ni247  1  0.107246  0.607224  0.555132  1
  Ni  Ni248  1  0.606550  0.107923  0.555130  1
  Ni  Ni249  1  0.729839  0.479863  0.622709  1
  Ni  Ni250  1  0.229477  0.980453  0.622853  1
  Ni  Ni251  1  0.313932  0.564357  0.577319  1
  Ni  Ni252  1  0.813473  0.065057  0.577537  1
  Ni  Ni253  1  0.731540  0.732212  0.554915  1
  Ni  Ni254  1  0.231473  0.232165  0.555045  1
  Ni  Ni255  1  0.149067  0.648269  0.600819  1
  Ni  Ni256  1  0.647896  0.149437  0.600807  1
  Ni  Ni257  1  0.814022  0.564301  0.577360  1
  Ni  Ni258  1  0.314390  0.063878  0.577099  1
  Ni  Ni259  1  0.230486  0.479491  0.623183  1
  Ni  Ni260  1  0.730296  0.979596  0.622549  1
  Ni  Ni261  1  0.479550  0.730121  0.622719  1
  Ni  Ni262  1  0.980154  0.229765  0.622911  1
  Ni  Ni263  1  0.064469  0.814040  0.577562  1
  Ni  Ni264  1  0.563758  0.314527  0.577338  1
  Ni  Ni265  1  0.397902  0.398375  0.600365  1
  Ni  Ni266  1  0.897898  0.898422  0.600166  1
  Ni  Ni267  1  0.981631  0.482876  0.554622  1
  Ni  Ni268  1  0.482065  0.982440  0.554636  1
  Ni  Ni269  1  0.563732  0.814597  0.577332  1
  Ni  Ni270  1  0.063249  0.315018  0.577057  1
  Ni  Ni271  1  0.979279  0.730646  0.622510  1
  Ni  Ni272  1  0.479239  0.230752  0.623154  1
  Ni  Ni273  1  0.605467  0.605288  0.692133  1
  Ni  Ni274  1  0.105782  0.105516  0.692529  1
  Ni  Ni275  1  0.191131  0.688991  0.646483  1
  Ni  Ni276  1  0.688932  0.191181  0.646465  1
  Ni  Ni277  1  0.518162  0.271961  0.668705  1
  Ni  Ni278  1  0.019967  0.771488  0.667623  1
  Ni  Ni279  1  0.928817  0.177703  0.714743  1
  Ni  Ni280  1  0.427295  0.676579  0.714298  1
  Ni  Ni281  1  0.690324  0.690396  0.646201  1
  Ni  Ni282  1  0.189517  0.189750  0.644387  1
  Ni  Ni283  1  0.106255  0.609041  0.691766  1
  Ni  Ni284  1  0.609278  0.106064  0.691787  1
  Ni  Ni285  1  0.256185  0.255814  0.734644  1
  Ni  Ni286  1  0.940088  0.940207  0.645747  1
  Ni  Ni287  1  0.857538  0.355954  0.692487  1
  Ni  Ni288  1  0.356178  0.857311  0.692464  1
  Ni  Ni289  1  0.272146  0.518112  0.668740  1
  Ni  Ni290  1  0.771599  0.020017  0.667648  1
  Ni  Ni291  1  0.676918  0.427079  0.714303  1
  Ni  Ni292  1  0.178099  0.928511  0.714759  1
  Ni  Ni293  1  0.354257  0.353890  0.694722  1
  Ni  Ni294  1  0.856845  0.856647  0.692412  1
  Ni  Ni295  1  0.940361  0.440278  0.646400  1
  Ni  Ni296  1  0.440235  0.940420  0.646387  1
  Ni  Ni297  1  0.552760  0.301398  0.715138  1
  Ni  Ni298  1  0.052943  0.803115  0.714092  1
  Ni  Ni299  1  0.143526  0.397722  0.667026  1
  Ni  Ni300  1  0.645431  0.895282  0.667782  1
  Ni  Ni301  1  0.565537  0.565639  0.645965  1
  Ni  Ni302  1  0.065102  0.065108  0.646408  1
  Ni  Ni303  1  0.981783  0.481163  0.692746  1
  Ni  Ni304  1  0.481521  0.981457  0.692730  1
  Ni  Ni305  1  0.644702  0.396087  0.667887  1
  Ni  Ni306  1  0.146507  0.895825  0.668205  1
  Ni  Ni307  1  0.058282  0.299642  0.714704  1
  Ni  Ni308  1  0.552394  0.801707  0.714275  1
  Ni  Ni309  1  0.301545  0.552422  0.715191  1
  Ni  Ni310  1  0.803289  0.052679  0.714128  1
  Ni  Ni311  1  0.895249  0.645307  0.667810  1
  Ni  Ni312  1  0.397594  0.143512  0.667116  1
  Ni  Ni313  1  0.229846  0.229903  0.688673  1
  Ni  Ni314  1  0.731387  0.731228  0.692499  1
  Ni  Ni315  1  0.815274  0.315660  0.646353  1
  Ni  Ni316  1  0.315463  0.815487  0.646335  1
  Ni  Ni317  1  0.396133  0.644818  0.667864  1
  Ni  Ni318  1  0.895960  0.146538  0.668174  1
  Ni  Ni319  1  0.802064  0.552159  0.714251  1
  Ni  Ni320  1  0.300048  0.058009  0.714593  1
