# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.82437822
_cell_length_b   12.82612568
_cell_length_c   46.78661739
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   7322.43995945
_cell_formula_units_Z   72
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  0.885493  0.220740  0.290780  1
  Al  Al2  1  0.219670  0.888009  0.291158  1
  Al  Al3  1  0.142679  0.141506  0.327132  1
  Al  Al4  1  0.514899  0.181729  0.308804  1
  Al  Al5  1  0.847949  0.848366  0.308673  1
  Al  Al6  1  0.181291  0.514654  0.308617  1
  Al  Al7  1  0.553038  0.554124  0.290734  1
  Al  Al8  1  0.475414  0.808595  0.327669  1
  Al  Al9  1  0.808427  0.475746  0.327457  1
  Al  Al10  1  0.769805  0.103739  0.344985  1
  Al  Al11  1  0.103274  0.770594  0.344941  1
  Al  Al12  1  0.025031  0.025521  0.382169  1
  Al  Al13  1  0.397868  0.064940  0.363543  1
  Al  Al14  1  0.731240  0.731533  0.363554  1
  Al  Al15  1  0.064645  0.398018  0.363486  1
  Al  Al16  1  0.436432  0.436872  0.345057  1
  Al  Al17  1  0.358333  0.692104  0.382240  1
  Al  Al18  1  0.691590  0.358767  0.382266  1
  Al  Al19  1  0.652475  0.986137  0.400776  1
  Al  Al20  1  0.985718  0.652860  0.400723  1
  Al  Al21  1  0.907056  0.907494  0.437952  1
  Al  Al22  1  0.279743  0.946792  0.419581  1
  Al  Al23  1  0.613090  0.613386  0.419601  1
  Al  Al24  1  0.946489  0.280071  0.419530  1
  Al  Al25  1  0.319044  0.319415  0.400684  1
  Al  Al26  1  0.240333  0.574195  0.437942  1
  Al  Al27  1  0.573752  0.240803  0.437968  1
  Al  Al28  1  0.534437  0.868164  0.456576  1
  Al  Al29  1  0.867769  0.534830  0.456571  1
  Al  Al30  1  0.789124  0.789492  0.493656  1
  Al  Al31  1  0.161692  0.828846  0.475099  1
  Al  Al32  1  0.495059  0.495486  0.475122  1
  Al  Al33  1  0.828422  0.162143  0.475131  1
  Al  Al34  1  0.201050  0.201528  0.456531  1
  Al  Al35  1  0.122382  0.456217  0.493614  1
  Al  Al36  1  0.455752  0.122857  0.493623  1
  Al  Al37  1  0.416370  0.750166  0.512284  1
  Al  Al38  1  0.749750  0.416804  0.512314  1
  Al  Al39  1  0.671093  0.671516  0.549425  1
  Al  Al40  1  0.043726  0.710894  0.530761  1
  Al  Al41  1  0.377052  0.377556  0.530750  1
  Al  Al42  1  0.710472  0.044177  0.530785  1
  Al  Al43  1  0.083020  0.083511  0.512276  1
  Al  Al44  1  0.004390  0.338196  0.549394  1
  Al  Al45  1  0.337682  0.004848  0.549333  1
  Al  Al46  1  0.298337  0.632280  0.567921  1
  Al  Al47  1  0.631744  0.298879  0.567926  1
  Al  Al48  1  0.553103  0.553653  0.605188  1
  Al  Al49  1  0.925663  0.592786  0.586484  1
  Al  Al50  1  0.258977  0.259546  0.586343  1
  Al  Al51  1  0.592556  0.925995  0.586386  1
  Al  Al52  1  0.965085  0.965559  0.567951  1
  Al  Al53  1  0.886536  0.220268  0.605248  1
  Al  Al54  1  0.219676  0.886877  0.605144  1
  Al  Al55  1  0.180253  0.514378  0.623603  1
  Al  Al56  1  0.513716  0.180828  0.623567  1
  Al  Al57  1  0.435533  0.436210  0.660798  1
  Al  Al58  1  0.807833  0.474798  0.642384  1
  Al  Al59  1  0.141075  0.141528  0.642357  1
  Al  Al60  1  0.474426  0.808115  0.642347  1
  Al  Al61  1  0.846959  0.847554  0.623683  1
  Al  Al62  1  0.768613  0.102870  0.660873  1
  Al  Al63  1  0.102064  0.769367  0.660914  1
  Al  Al64  1  0.064124  0.397408  0.679393  1
  Al  Al65  1  0.397847  0.063607  0.678437  1
  Al  Al66  1  0.318587  0.320972  0.714410  1
  Al  Al67  1  0.690593  0.357800  0.697000  1
  Al  Al68  1  0.024649  0.025011  0.697187  1
  Al  Al69  1  0.357542  0.691135  0.696956  1
  Al  Al70  1  0.730526  0.731067  0.679334  1
  Al  Al71  1  0.651659  0.987105  0.714170  1
  Al  Al72  1  0.986114  0.653943  0.714097  1
  Ni  Ni73  1  0.700078  0.201546  0.299107  1
  Ni  Ni74  1  0.033489  0.867993  0.299070  1
  Ni  Ni75  1  0.071665  0.240998  0.282232  1
  Ni  Ni76  1  0.327751  0.161009  0.316677  1
  Ni  Ni77  1  0.661757  0.828783  0.317361  1
  Ni  Ni78  1  0.995137  0.495226  0.317289  1
  Ni  Ni79  1  0.366920  0.534861  0.299105  1
  Ni  Ni80  1  0.405350  0.907868  0.282354  1
  Ni  Ni81  1  0.739215  0.574395  0.281860  1
  Ni  Ni82  1  0.680534  0.014154  0.308034  1
  Ni  Ni83  1  0.013912  0.680734  0.308017  1
  Ni  Ni84  1  0.053714  0.054223  0.290544  1
  Ni  Ni85  1  0.308129  0.976230  0.327253  1
  Ni  Ni86  1  0.641901  0.642337  0.327435  1
  Ni  Ni87  1  0.974741  0.309116  0.327508  1
  Ni  Ni88  1  0.347348  0.347646  0.308152  1
  Ni  Ni89  1  0.386691  0.720772  0.290338  1
  Ni  Ni90  1  0.719831  0.387789  0.290230  1
  Ni  Ni91  1  0.867801  0.034225  0.299053  1
  Ni  Ni92  1  0.200963  0.701198  0.299058  1
  Ni  Ni93  1  0.122577  0.956642  0.336363  1
  Ni  Ni94  1  0.495482  0.995300  0.317523  1
  Ni  Ni95  1  0.828529  0.662141  0.317349  1
  Ni  Ni96  1  0.161816  0.328651  0.317410  1
  Ni  Ni97  1  0.534212  0.367699  0.299110  1
  Ni  Ni98  1  0.572793  0.740659  0.281927  1
  Ni  Ni99  1  0.906473  0.406650  0.281861  1
  Ni  Ni100  1  0.584134  0.084355  0.354601  1
  Ni  Ni101  1  0.917452  0.751096  0.354522  1
  Ni  Ni102  1  0.955780  0.123600  0.336257  1
  Ni  Ni103  1  0.211516  0.045142  0.373381  1
  Ni  Ni104  1  0.544892  0.711655  0.373389  1
  Ni  Ni105  1  0.878158  0.378445  0.373327  1
  Ni  Ni106  1  0.250620  0.417703  0.354542  1
  Ni  Ni107  1  0.289632  0.789686  0.336335  1
  Ni  Ni108  1  0.622660  0.456704  0.336244  1
  Ni  Ni109  1  0.564504  0.898066  0.363837  1
  Ni  Ni110  1  0.897834  0.564728  0.363739  1
  Ni  Ni111  1  0.936459  0.937144  0.345282  1
  Ni  Ni112  1  0.191572  0.858669  0.382407  1
  Ni  Ni113  1  0.524857  0.525234  0.382413  1
  Ni  Ni114  1  0.858240  0.192048  0.382377  1
  Ni  Ni115  1  0.231251  0.231238  0.363685  1
  Ni  Ni116  1  0.269734  0.603602  0.345293  1
  Ni  Ni117  1  0.603055  0.270400  0.345384  1
  Ni  Ni118  1  0.750658  0.917773  0.354545  1
  Ni  Ni119  1  0.083954  0.584439  0.354493  1
  Ni  Ni120  1  0.005427  0.839186  0.391511  1
  Ni  Ni121  1  0.377920  0.878777  0.373290  1
  Ni  Ni122  1  0.711402  0.545175  0.373327  1
  Ni  Ni123  1  0.045037  0.211670  0.373164  1
  Ni  Ni124  1  0.416931  0.250701  0.354423  1
  Ni  Ni125  1  0.456128  0.623091  0.336272  1
  Ni  Ni126  1  0.789092  0.290185  0.336261  1
  Ni  Ni127  1  0.466103  0.966599  0.410145  1
  Ni  Ni128  1  0.799455  0.633223  0.410135  1
  Ni  Ni129  1  0.838696  0.005898  0.391532  1
  Ni  Ni130  1  0.093296  0.927225  0.428692  1
  Ni  Ni131  1  0.426654  0.593840  0.428721  1
  Ni  Ni132  1  0.760065  0.260489  0.428728  1
  Ni  Ni133  1  0.132770  0.299865  0.410071  1
  Ni  Ni134  1  0.171936  0.672583  0.391505  1
  Ni  Ni135  1  0.505209  0.339072  0.391543  1
  Ni  Ni136  1  0.446360  0.780125  0.419547  1
  Ni  Ni137  1  0.779742  0.446732  0.419556  1
  Ni  Ni138  1  0.819073  0.819463  0.400829  1
  Ni  Ni139  1  0.073684  0.740852  0.437924  1
  Ni  Ni140  1  0.407005  0.407469  0.437935  1
  Ni  Ni141  1  0.740430  0.074136  0.437964  1
  Ni  Ni142  1  0.112991  0.113464  0.419516  1
  Ni  Ni143  1  0.152313  0.486143  0.400801  1
  Ni  Ni144  1  0.485722  0.152783  0.400827  1
  Ni  Ni145  1  0.632936  0.799772  0.410170  1
  Ni  Ni146  1  0.966230  0.466480  0.410112  1
  Ni  Ni147  1  0.887445  0.721150  0.447221  1
  Ni  Ni148  1  0.260060  0.760425  0.428709  1
  Ni  Ni149  1  0.593401  0.427042  0.428731  1
  Ni  Ni150  1  0.926757  0.093753  0.428698  1
  Ni  Ni151  1  0.299553  0.133158  0.410126  1
  Ni  Ni152  1  0.338675  0.505803  0.391549  1
  Ni  Ni153  1  0.672165  0.172420  0.391571  1
  Ni  Ni154  1  0.348058  0.848462  0.465901  1
  Ni  Ni155  1  0.681431  0.515094  0.465927  1
  Ni  Ni156  1  0.720767  0.887848  0.447243  1
  Ni  Ni157  1  0.975405  0.809179  0.484356  1
  Ni  Ni158  1  0.308713  0.475854  0.484345  1
  Ni  Ni159  1  0.642108  0.142490  0.484376  1
  Ni  Ni160  1  0.014715  0.181810  0.465889  1
  Ni  Ni161  1  0.054032  0.554562  0.447204  1
  Ni  Ni162  1  0.387384  0.221223  0.447203  1
  Ni  Ni163  1  0.328366  0.662160  0.475120  1
  Ni  Ni164  1  0.661757  0.328798  0.475141  1
  Ni  Ni165  1  0.701140  0.701488  0.456589  1
  Ni  Ni166  1  0.955737  0.622860  0.493646  1
  Ni  Ni167  1  0.289048  0.289545  0.493612  1
  Ni  Ni168  1  0.622454  0.956165  0.493652  1
  Ni  Ni169  1  0.995042  0.995497  0.475117  1
  Ni  Ni170  1  0.034436  0.368191  0.456539  1
  Ni  Ni171  1  0.367767  0.034873  0.456561  1
  Ni  Ni172  1  0.514719  0.681812  0.465914  1
  Ni  Ni173  1  0.848091  0.348463  0.465906  1
  Ni  Ni174  1  0.769426  0.603156  0.503001  1
  Ni  Ni175  1  0.142033  0.642543  0.484347  1
  Ni  Ni176  1  0.475397  0.309185  0.484357  1
  Ni  Ni177  1  0.808764  0.975834  0.484377  1
  Ni  Ni178  1  0.181341  0.015179  0.465886  1
  Ni  Ni179  1  0.220750  0.387822  0.447181  1
  Ni  Ni180  1  0.554132  0.054484  0.447230  1
  Ni  Ni181  1  0.230017  0.730549  0.521514  1
  Ni  Ni182  1  0.563395  0.397196  0.521533  1
  Ni  Ni183  1  0.602771  0.769817  0.502986  1
  Ni  Ni184  1  0.857427  0.691166  0.540075  1
  Ni  Ni185  1  0.190680  0.357922  0.540008  1
  Ni  Ni186  1  0.524108  0.024488  0.540020  1
  Ni  Ni187  1  0.896747  0.063858  0.521546  1
  Ni  Ni188  1  0.936075  0.436507  0.502978  1
  Ni  Ni189  1  0.269364  0.103203  0.502940  1
  Ni  Ni190  1  0.210373  0.544237  0.530744  1
  Ni  Ni191  1  0.543756  0.210857  0.530752  1
  Ni  Ni192  1  0.583069  0.583503  0.512303  1
  Ni  Ni193  1  0.837733  0.504801  0.549415  1
  Ni  Ni194  1  0.170992  0.171514  0.549344  1
  Ni  Ni195  1  0.504391  0.838137  0.549362  1
  Ni  Ni196  1  0.877120  0.877522  0.530773  1
  Ni  Ni197  1  0.916403  0.250168  0.512296  1
  Ni  Ni198  1  0.249680  0.916845  0.512261  1
  Ni  Ni199  1  0.396718  0.563868  0.521526  1
  Ni  Ni200  1  0.730112  0.230493  0.521548  1
  Ni  Ni201  1  0.651365  0.485224  0.558715  1
  Ni  Ni202  1  0.024033  0.524565  0.540043  1
  Ni  Ni203  1  0.357394  0.191198  0.539997  1
  Ni  Ni204  1  0.690842  0.857796  0.540053  1
  Ni  Ni205  1  0.063386  0.897193  0.521522  1
  Ni  Ni206  1  0.102703  0.269869  0.502951  1
  Ni  Ni207  1  0.436071  0.936504  0.502959  1
  Ni  Ni208  1  0.112076  0.612574  0.577142  1
  Ni  Ni209  1  0.445447  0.279182  0.577124  1
  Ni  Ni210  1  0.484734  0.651857  0.558705  1
  Ni  Ni211  1  0.739445  0.573088  0.595854  1
  Ni  Ni212  1  0.072738  0.239768  0.595810  1
  Ni  Ni213  1  0.406049  0.906367  0.595739  1
  Ni  Ni214  1  0.778913  0.945813  0.577176  1
  Ni  Ni215  1  0.818133  0.318470  0.558733  1
  Ni  Ni216  1  0.151368  0.985170  0.558678  1
  Ni  Ni217  1  0.092304  0.426350  0.586417  1
  Ni  Ni218  1  0.425759  0.092821  0.586357  1
  Ni  Ni219  1  0.465060  0.465608  0.567938  1
  Ni  Ni220  1  0.719799  0.386920  0.605078  1
  Ni  Ni221  1  0.053076  0.053601  0.605089  1
  Ni  Ni222  1  0.386364  0.720306  0.605067  1
  Ni  Ni223  1  0.759148  0.759474  0.586504  1
  Ni  Ni224  1  0.798482  0.132231  0.567983  1
  Ni  Ni225  1  0.131675  0.798918  0.567944  1
  Ni  Ni226  1  0.278634  0.446005  0.577131  1
  Ni  Ni227  1  0.612060  0.112577  0.577138  1
  Ni  Ni228  1  0.533350  0.367366  0.614311  1
  Ni  Ni229  1  0.906083  0.406480  0.595871  1
  Ni  Ni230  1  0.239254  0.073191  0.595754  1
  Ni  Ni231  1  0.572671  0.739894  0.595836  1
  Ni  Ni232  1  0.945323  0.779275  0.577169  1
  Ni  Ni233  1  0.984689  0.151895  0.558714  1
  Ni  Ni234  1  0.317968  0.818556  0.558670  1
  Ni  Ni235  1  0.993925  0.494403  0.632900  1
  Ni  Ni236  1  0.327304  0.161123  0.632624  1
  Ni  Ni237  1  0.366740  0.533953  0.614317  1
  Ni  Ni238  1  0.621784  0.455677  0.651333  1
  Ni  Ni239  1  0.955167  0.122435  0.651476  1
  Ni  Ni240  1  0.288338  0.789061  0.651385  1
  Ni  Ni241  1  0.660722  0.827625  0.632875  1
  Ni  Ni242  1  0.700154  0.200576  0.614340  1
  Ni  Ni243  1  0.033314  0.867180  0.614372  1
  Ni  Ni244  1  0.974754  0.308251  0.642264  1
  Ni  Ni245  1  0.307888  0.974804  0.642036  1
  Ni  Ni246  1  0.347157  0.347753  0.623339  1
  Ni  Ni247  1  0.602230  0.269721  0.660446  1
  Ni  Ni248  1  0.935567  0.936492  0.660612  1
  Ni  Ni249  1  0.268947  0.602977  0.660473  1
  Ni  Ni250  1  0.641313  0.641680  0.642172  1
  Ni  Ni251  1  0.680604  0.014397  0.623356  1
  Ni  Ni252  1  0.013792  0.681055  0.623375  1
  Ni  Ni253  1  0.160260  0.328266  0.632622  1
  Ni  Ni254  1  0.494440  0.994000  0.632557  1
  Ni  Ni255  1  0.416147  0.250195  0.669291  1
  Ni  Ni256  1  0.788467  0.288903  0.651365  1
  Ni  Ni257  1  0.121476  0.955300  0.651299  1
  Ni  Ni258  1  0.455169  0.622215  0.651325  1
  Ni  Ni259  1  0.827291  0.661031  0.632898  1
  Ni  Ni260  1  0.866776  0.034027  0.614410  1
  Ni  Ni261  1  0.199941  0.700753  0.614357  1
  Ni  Ni262  1  0.877791  0.377889  0.688709  1
  Ni  Ni263  1  0.210777  0.044218  0.688240  1
  Ni  Ni264  1  0.249710  0.417014  0.669227  1
  Ni  Ni265  1  0.504866  0.338245  0.706696  1
  Ni  Ni266  1  0.838494  0.005943  0.706743  1
  Ni  Ni267  1  0.172116  0.672454  0.706706  1
  Ni  Ni268  1  0.544379  0.711268  0.688664  1
  Ni  Ni269  1  0.582532  0.083892  0.669238  1
  Ni  Ni270  1  0.916229  0.750465  0.669213  1
  Ni  Ni271  1  0.858153  0.192011  0.697575  1
  Ni  Ni272  1  0.191804  0.859029  0.697677  1
  Ni  Ni273  1  0.229912  0.231905  0.678309  1
  Ni  Ni274  1  0.485084  0.152887  0.715024  1
  Ni  Ni275  1  0.819831  0.821217  0.714722  1
  Ni  Ni276  1  0.153019  0.487299  0.714798  1
  Ni  Ni277  1  0.524838  0.525026  0.697537  1
  Ni  Ni278  1  0.563289  0.897502  0.679148  1
  Ni  Ni279  1  0.897041  0.564012  0.679180  1
  Ni  Ni280  1  0.045281  0.211484  0.689038  1
  Ni  Ni281  1  0.377649  0.878575  0.688869  1
  Ni  Ni282  1  0.296980  0.136516  0.723047  1
  Ni  Ni283  1  0.671143  0.172652  0.706693  1
  Ni  Ni284  1  0.005081  0.839791  0.706728  1
  Ni  Ni285  1  0.338288  0.506364  0.706661  1
  Ni  Ni286  1  0.710935  0.544742  0.688681  1
  Ni  Ni287  1  0.749397  0.917179  0.669244  1
  Ni  Ni288  1  0.083047  0.583521  0.669215  1
