# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70592466
_cell_length_b   12.70583755
_cell_length_c   46.34173482
_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   7118.43010112
_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  0.891515  0.224431  0.289588  1
  Al  Al2  1  0.224019  0.891929  0.289588  1
  Al  Al3  1  0.144546  0.144956  0.325458  1
  Al  Al4  1  0.518064  0.184784  0.307301  1
  Al  Al5  1  0.851264  0.851674  0.307287  1
  Al  Al6  1  0.184373  0.518474  0.307301  1
  Al  Al7  1  0.557560  0.557973  0.289252  1
  Al  Al8  1  0.477981  0.811374  0.325782  1
  Al  Al9  1  0.810963  0.478392  0.325781  1
  Al  Al10  1  0.772655  0.106439  0.343228  1
  Al  Al11  1  0.106029  0.773065  0.343228  1
  Al  Al12  1  0.027590  0.027999  0.380519  1
  Al  Al13  1  0.400022  0.067793  0.361845  1
  Al  Al14  1  0.733733  0.734142  0.361979  1
  Al  Al15  1  0.067384  0.400430  0.361845  1
  Al  Al16  1  0.439035  0.439445  0.343257  1
  Al  Al17  1  0.360973  0.694531  0.380463  1
  Al  Al18  1  0.694122  0.361382  0.380463  1
  Al  Al19  1  0.654968  0.988664  0.398869  1
  Al  Al20  1  0.988256  0.655376  0.398869  1
  Al  Al21  1  0.909743  0.910151  0.435920  1
  Al  Al22  1  0.282363  0.949447  0.417609  1
  Al  Al23  1  0.615599  0.616006  0.417582  1
  Al  Al24  1  0.949039  0.282770  0.417609  1
  Al  Al25  1  0.321431  0.321839  0.398640  1
  Al  Al26  1  0.243058  0.576784  0.435916  1
  Al  Al27  1  0.576377  0.243465  0.435916  1
  Al  Al28  1  0.537075  0.870866  0.454507  1
  Al  Al29  1  0.870460  0.537482  0.454507  1
  Al  Al30  1  0.791800  0.792206  0.491484  1
  Al  Al31  1  0.164451  0.831461  0.473059  1
  Al  Al32  1  0.497719  0.498125  0.473048  1
  Al  Al33  1  0.831055  0.164857  0.473059  1
  Al  Al34  1  0.203773  0.204179  0.454482  1
  Al  Al35  1  0.125167  0.458901  0.491469  1
  Al  Al36  1  0.458496  0.125573  0.491469  1
  Al  Al37  1  0.419192  0.752857  0.510171  1
  Al  Al38  1  0.752452  0.419597  0.510171  1
  Al  Al39  1  0.673822  0.674226  0.547193  1
  Al  Al40  1  0.046556  0.713666  0.528557  1
  Al  Al41  1  0.379890  0.380295  0.528555  1
  Al  Al42  1  0.713261  0.046961  0.528557  1
  Al  Al43  1  0.085792  0.086197  0.510110  1
  Al  Al44  1  0.007114  0.341034  0.547102  1
  Al  Al45  1  0.340630  0.007518  0.547102  1
  Al  Al46  1  0.301264  0.635078  0.565754  1
  Al  Al47  1  0.634674  0.301668  0.565754  1
  Al  Al48  1  0.556086  0.556488  0.602933  1
  Al  Al49  1  0.928480  0.595846  0.584026  1
  Al  Al50  1  0.261940  0.262343  0.583955  1
  Al  Al51  1  0.595442  0.928883  0.584026  1
  Al  Al52  1  0.967852  0.968256  0.565623  1
  Al  Al53  1  0.889376  0.223186  0.602821  1
  Al  Al54  1  0.222784  0.889778  0.602821  1
  Al  Al55  1  0.183434  0.517275  0.621086  1
  Al  Al56  1  0.516873  0.183836  0.621086  1
  Al  Al57  1  0.438492  0.438893  0.658329  1
  Al  Al58  1  0.810789  0.477641  0.640020  1
  Al  Al59  1  0.143862  0.144263  0.639415  1
  Al  Al60  1  0.477238  0.811191  0.640020  1
  Al  Al61  1  0.849832  0.850234  0.621090  1
  Al  Al62  1  0.771701  0.105440  0.658355  1
  Al  Al63  1  0.105040  0.772102  0.658355  1
  Al  Al64  1  0.066547  0.400333  0.675735  1
  Al  Al65  1  0.399933  0.066947  0.675734  1
  Al  Al66  1  0.319814  0.320211  0.711980  1
  Al  Al67  1  0.693153  0.359773  0.694305  1
  Al  Al68  1  0.025927  0.026327  0.694289  1
  Al  Al69  1  0.359373  0.693553  0.694305  1
  Al  Al70  1  0.733035  0.733437  0.676093  1
  Al  Al71  1  0.651894  0.986193  0.712062  1
  Al  Al72  1  0.985797  0.652291  0.712063  1
  Ni  Ni73  1  0.704147  0.204041  0.296275  1
  Ni  Ni74  1  0.036976  0.871519  0.296271  1
  Ni  Ni75  1  0.958736  0.125454  0.334531  1
  Ni  Ni76  1  0.330099  0.163212  0.313895  1
  Ni  Ni77  1  0.664850  0.831770  0.315181  1
  Ni  Ni78  1  0.998076  0.498649  0.315354  1
  Ni  Ni79  1  0.370314  0.537477  0.296244  1
  Ni  Ni80  1  0.409482  0.913458  0.279320  1
  Ni  Ni81  1  0.745421  0.577707  0.278817  1
  Ni  Ni82  1  0.871108  0.037387  0.296271  1
  Ni  Ni83  1  0.203630  0.704558  0.296275  1
  Ni  Ni84  1  0.125044  0.959146  0.334531  1
  Ni  Ni85  1  0.498240  0.998485  0.315354  1
  Ni  Ni86  1  0.831361  0.665259  0.315181  1
  Ni  Ni87  1  0.162803  0.330508  0.313895  1
  Ni  Ni88  1  0.537066  0.370725  0.296244  1
  Ni  Ni89  1  0.577294  0.745835  0.278817  1
  Ni  Ni90  1  0.913044  0.409895  0.279320  1
  Ni  Ni91  1  0.683770  0.017293  0.305104  1
  Ni  Ni92  1  0.016883  0.684181  0.305104  1
  Ni  Ni93  1  0.060207  0.060620  0.287833  1
  Ni  Ni94  1  0.311677  0.979668  0.325281  1
  Ni  Ni95  1  0.645712  0.646123  0.325230  1
  Ni  Ni96  1  0.979258  0.312087  0.325281  1
  Ni  Ni97  1  0.350444  0.350854  0.305330  1
  Ni  Ni98  1  0.391258  0.724835  0.287278  1
  Ni  Ni99  1  0.724422  0.391670  0.287278  1
  Ni  Ni100  1  0.587142  0.086399  0.352679  1
  Ni  Ni101  1  0.920330  0.753141  0.352653  1
  Ni  Ni102  1  0.841297  0.008471  0.389589  1
  Ni  Ni103  1  0.213723  0.047642  0.371505  1
  Ni  Ni104  1  0.547254  0.714067  0.371414  1
  Ni  Ni105  1  0.880859  0.380703  0.371386  1
  Ni  Ni106  1  0.252827  0.419278  0.352367  1
  Ni  Ni107  1  0.292646  0.791681  0.334413  1
  Ni  Ni108  1  0.625483  0.458902  0.334282  1
  Ni  Ni109  1  0.752732  0.920739  0.352653  1
  Ni  Ni110  1  0.085990  0.587552  0.352679  1
  Ni  Ni111  1  0.008063  0.841705  0.389589  1
  Ni  Ni112  1  0.380294  0.881268  0.371386  1
  Ni  Ni113  1  0.713658  0.547663  0.371414  1
  Ni  Ni114  1  0.047234  0.214132  0.371504  1
  Ni  Ni115  1  0.418868  0.253236  0.352367  1
  Ni  Ni116  1  0.458492  0.625894  0.334282  1
  Ni  Ni117  1  0.791271  0.293056  0.334413  1
  Ni  Ni118  1  0.566758  0.900541  0.361760  1
  Ni  Ni119  1  0.900133  0.567167  0.361760  1
  Ni  Ni120  1  0.939591  0.940001  0.343334  1
  Ni  Ni121  1  0.194273  0.861142  0.380535  1
  Ni  Ni122  1  0.527314  0.527723  0.380461  1
  Ni  Ni123  1  0.860733  0.194681  0.380535  1
  Ni  Ni124  1  0.233399  0.233808  0.361368  1
  Ni  Ni125  1  0.272901  0.606416  0.343315  1
  Ni  Ni126  1  0.606006  0.273310  0.343315  1
  Ni  Ni127  1  0.468689  0.969221  0.408158  1
  Ni  Ni128  1  0.802081  0.635746  0.408200  1
  Ni  Ni129  1  0.723417  0.890493  0.445196  1
  Ni  Ni130  1  0.096028  0.929728  0.426767  1
  Ni  Ni131  1  0.429257  0.596345  0.426729  1
  Ni  Ni132  1  0.762636  0.263132  0.426770  1
  Ni  Ni133  1  0.135547  0.302361  0.408099  1
  Ni  Ni134  1  0.174664  0.675099  0.389599  1
  Ni  Ni135  1  0.507717  0.341509  0.389521  1
  Ni  Ni136  1  0.635338  0.802488  0.408200  1
  Ni  Ni137  1  0.968813  0.469096  0.408158  1
  Ni  Ni138  1  0.890086  0.723824  0.445196  1
  Ni  Ni139  1  0.262725  0.763044  0.426770  1
  Ni  Ni140  1  0.595937  0.429664  0.426729  1
  Ni  Ni141  1  0.929321  0.096435  0.426767  1
  Ni  Ni142  1  0.301953  0.135954  0.408099  1
  Ni  Ni143  1  0.341100  0.508125  0.389521  1
  Ni  Ni144  1  0.674691  0.175072  0.389599  1
  Ni  Ni145  1  0.448980  0.782789  0.417589  1
  Ni  Ni146  1  0.782382  0.449387  0.417589  1
  Ni  Ni147  1  0.821732  0.822140  0.398898  1
  Ni  Ni148  1  0.076379  0.743444  0.435925  1
  Ni  Ni149  1  0.409609  0.410016  0.435857  1
  Ni  Ni150  1  0.743036  0.076786  0.435925  1
  Ni  Ni151  1  0.115681  0.116089  0.417663  1
  Ni  Ni152  1  0.155038  0.488735  0.398827  1
  Ni  Ni153  1  0.488327  0.155446  0.398827  1
  Ni  Ni154  1  0.350770  0.851123  0.463856  1
  Ni  Ni155  1  0.684027  0.517788  0.463848  1
  Ni  Ni156  1  0.605476  0.772516  0.500829  1
  Ni  Ni157  1  0.978138  0.811868  0.482237  1
  Ni  Ni158  1  0.311473  0.478522  0.482232  1
  Ni  Ni159  1  0.644817  0.145224  0.482254  1
  Ni  Ni160  1  0.017356  0.184494  0.463861  1
  Ni  Ni161  1  0.056795  0.557151  0.445177  1
  Ni  Ni162  1  0.390039  0.223866  0.445120  1
  Ni  Ni163  1  0.517382  0.684433  0.463848  1
  Ni  Ni164  1  0.850717  0.351176  0.463856  1
  Ni  Ni165  1  0.772111  0.605881  0.500829  1
  Ni  Ni166  1  0.144819  0.645223  0.482254  1
  Ni  Ni167  1  0.478117  0.311878  0.482232  1
  Ni  Ni168  1  0.811463  0.978544  0.482237  1
  Ni  Ni169  1  0.184087  0.017763  0.463861  1
  Ni  Ni170  1  0.223459  0.390445  0.445120  1
  Ni  Ni171  1  0.556744  0.057201  0.445177  1
  Ni  Ni172  1  0.331122  0.664810  0.473073  1
  Ni  Ni173  1  0.664404  0.331528  0.473073  1
  Ni  Ni174  1  0.703730  0.704136  0.454512  1
  Ni  Ni175  1  0.958477  0.625574  0.491487  1
  Ni  Ni176  1  0.291812  0.292217  0.491453  1
  Ni  Ni177  1  0.625169  0.958883  0.491487  1
  Ni  Ni178  1  0.997750  0.998156  0.473048  1
  Ni  Ni179  1  0.037153  0.370811  0.454482  1
  Ni  Ni180  1  0.370404  0.037560  0.454482  1
  Ni  Ni181  1  0.232881  0.733241  0.519394  1
  Ni  Ni182  1  0.566167  0.399920  0.519403  1
  Ni  Ni183  1  0.487549  0.654608  0.556536  1
  Ni  Ni184  1  0.860171  0.693989  0.537770  1
  Ni  Ni185  1  0.193552  0.360669  0.537745  1
  Ni  Ni186  1  0.527010  0.027267  0.537764  1
  Ni  Ni187  1  0.899467  0.066591  0.519345  1
  Ni  Ni188  1  0.938797  0.439268  0.500815  1
  Ni  Ni189  1  0.272164  0.105869  0.500795  1
  Ni  Ni190  1  0.399516  0.566572  0.519403  1
  Ni  Ni191  1  0.732836  0.233286  0.519394  1
  Ni  Ni192  1  0.654205  0.487953  0.556536  1
  Ni  Ni193  1  0.026863  0.527415  0.537764  1
  Ni  Ni194  1  0.360265  0.193957  0.537745  1
  Ni  Ni195  1  0.693585  0.860575  0.537770  1
  Ni  Ni196  1  0.066187  0.899871  0.519345  1
  Ni  Ni197  1  0.105464  0.272570  0.500795  1
  Ni  Ni198  1  0.438863  0.939202  0.500815  1
  Ni  Ni199  1  0.213223  0.546989  0.528559  1
  Ni  Ni200  1  0.546585  0.213628  0.528559  1
  Ni  Ni201  1  0.585801  0.586206  0.510176  1
  Ni  Ni202  1  0.840460  0.507686  0.547170  1
  Ni  Ni203  1  0.173846  0.174250  0.547075  1
  Ni  Ni204  1  0.507281  0.840864  0.547170  1
  Ni  Ni205  1  0.879854  0.880258  0.528520  1
  Ni  Ni206  1  0.919092  0.252955  0.510137  1
  Ni  Ni207  1  0.252550  0.919497  0.510137  1
  Ni  Ni208  1  0.115013  0.615487  0.574857  1
  Ni  Ni209  1  0.448391  0.282040  0.574841  1
  Ni  Ni210  1  0.369817  0.536896  0.612079  1
  Ni  Ni211  1  0.742172  0.575940  0.593605  1
  Ni  Ni212  1  0.075382  0.242765  0.593365  1
  Ni  Ni213  1  0.409023  0.909223  0.593504  1
  Ni  Ni214  1  0.781658  0.948619  0.574816  1
  Ni  Ni215  1  0.820871  0.321337  0.556494  1
  Ni  Ni216  1  0.154234  0.987884  0.556393  1
  Ni  Ni217  1  0.281637  0.448795  0.574841  1
  Ni  Ni218  1  0.615084  0.115417  0.574857  1
  Ni  Ni219  1  0.536494  0.370219  0.612079  1
  Ni  Ni220  1  0.908820  0.409426  0.593504  1
  Ni  Ni221  1  0.242362  0.075785  0.593365  1
  Ni  Ni222  1  0.575537  0.742575  0.593605  1
  Ni  Ni223  1  0.948216  0.782062  0.574816  1
  Ni  Ni224  1  0.987480  0.154638  0.556393  1
  Ni  Ni225  1  0.320934  0.821275  0.556494  1
  Ni  Ni226  1  0.095177  0.429185  0.583965  1
  Ni  Ni227  1  0.428782  0.095580  0.583965  1
  Ni  Ni228  1  0.467970  0.468373  0.565745  1
  Ni  Ni229  1  0.722769  0.389720  0.602903  1
  Ni  Ni230  1  0.055824  0.056227  0.602615  1
  Ni  Ni231  1  0.389318  0.723172  0.602903  1
  Ni  Ni232  1  0.761847  0.762250  0.584059  1
  Ni  Ni233  1  0.801327  0.135019  0.565710  1
  Ni  Ni234  1  0.134616  0.801730  0.565710  1
  Ni  Ni235  1  0.996735  0.498006  0.630134  1
  Ni  Ni236  1  0.330569  0.164143  0.630060  1
  Ni  Ni237  1  0.252326  0.419596  0.667070  1
  Ni  Ni238  1  0.624589  0.459080  0.649199  1
  Ni  Ni239  1  0.957283  0.125069  0.648851  1
  Ni  Ni240  1  0.291212  0.792733  0.649270  1
  Ni  Ni241  1  0.663472  0.830888  0.630304  1
  Ni  Ni242  1  0.703335  0.203493  0.612107  1
  Ni  Ni243  1  0.036156  0.870010  0.611978  1
  Ni  Ni244  1  0.163741  0.330971  0.630061  1
  Ni  Ni245  1  0.497604  0.997137  0.630134  1
  Ni  Ni246  1  0.419196  0.252726  0.667070  1
  Ni  Ni247  1  0.792332  0.291614  0.649269  1
  Ni  Ni248  1  0.124668  0.957684  0.648851  1
  Ni  Ni249  1  0.458678  0.624991  0.649199  1
  Ni  Ni250  1  0.830486  0.663875  0.630304  1
  Ni  Ni251  1  0.869608  0.036558  0.611978  1
  Ni  Ni252  1  0.203091  0.703737  0.612107  1
  Ni  Ni253  1  0.977324  0.311467  0.639943  1
  Ni  Ni254  1  0.311065  0.977726  0.639943  1
  Ni  Ni255  1  0.350234  0.350636  0.621003  1
  Ni  Ni256  1  0.604955  0.271992  0.658290  1
  Ni  Ni257  1  0.937871  0.938271  0.658274  1
  Ni  Ni258  1  0.271591  0.605356  0.658290  1
  Ni  Ni259  1  0.644104  0.644506  0.640138  1
  Ni  Ni260  1  0.683561  0.017238  0.621041  1
  Ni  Ni261  1  0.016837  0.683963  0.621041  1
  Ni  Ni262  1  0.882074  0.380518  0.687716  1
  Ni  Ni263  1  0.211916  0.046829  0.686128  1
  Ni  Ni264  1  0.131649  0.300426  0.722057  1
  Ni  Ni265  1  0.506970  0.340249  0.705340  1
  Ni  Ni266  1  0.839949  0.006776  0.705341  1
  Ni  Ni267  1  0.173442  0.674262  0.705322  1
  Ni  Ni268  1  0.547235  0.714550  0.687396  1
  Ni  Ni269  1  0.585251  0.086762  0.667083  1
  Ni  Ni270  1  0.918900  0.752903  0.667028  1
  Ni  Ni271  1  0.046428  0.212317  0.686128  1
  Ni  Ni272  1  0.380116  0.882476  0.687716  1
  Ni  Ni273  1  0.300031  0.132044  0.722056  1
  Ni  Ni274  1  0.673863  0.173841  0.705322  1
  Ni  Ni275  1  0.006377  0.840348  0.705341  1
  Ni  Ni276  1  0.339851  0.507369  0.705340  1
  Ni  Ni277  1  0.714148  0.547637  0.687396  1
  Ni  Ni278  1  0.752503  0.919300  0.667028  1
  Ni  Ni279  1  0.086362  0.585651  0.667083  1
  Ni  Ni280  1  0.860637  0.193666  0.696387  1
  Ni  Ni281  1  0.193266  0.861037  0.696388  1
  Ni  Ni282  1  0.231917  0.232317  0.675913  1
  Ni  Ni283  1  0.485711  0.152182  0.713942  1
  Ni  Ni284  1  0.817933  0.818330  0.713633  1
  Ni  Ni285  1  0.151786  0.486108  0.713942  1
  Ni  Ni286  1  0.526756  0.527156  0.696294  1
  Ni  Ni287  1  0.564794  0.899571  0.676903  1
  Ni  Ni288  1  0.899169  0.565196  0.676903  1
