# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.70459784
_cell_length_b   12.70309899
_cell_length_c   46.34899311
_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   7117.26721511
_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  0.634807  0.968349  0.330110  1
  Al  Al2  1  0.967761  0.635393  0.330111  1
  Al  Al3  1  0.008063  0.008632  0.311790  1
  Al  Al4  1  0.380990  0.048214  0.293675  1
  Al  Al5  1  0.714434  0.715040  0.293777  1
  Al  Al6  1  0.047609  0.381597  0.293676  1
  Al  Al7  1  0.422217  0.422940  0.276879  1
  Al  Al8  1  0.342044  0.672080  0.311158  1
  Al  Al9  1  0.671516  0.342618  0.311161  1
  Al  Al10  1  0.517678  0.851476  0.384846  1
  Al  Al11  1  0.850924  0.518232  0.384847  1
  Al  Al12  1  0.890792  0.891343  0.366467  1
  Al  Al13  1  0.262870  0.929969  0.347699  1
  Al  Al14  1  0.596770  0.597335  0.348045  1
  Al  Al15  1  0.929407  0.263435  0.347700  1
  Al  Al16  1  0.302113  0.302695  0.329725  1
  Al  Al17  1  0.223252  0.558192  0.366739  1
  Al  Al18  1  0.557638  0.223808  0.366734  1
  Al  Al19  1  0.399914  0.733899  0.440482  1
  Al  Al20  1  0.733376  0.400437  0.440482  1
  Al  Al21  1  0.772655  0.773188  0.422139  1
  Al  Al22  1  0.145143  0.812282  0.403287  1
  Al  Al23  1  0.478646  0.479185  0.403806  1
  Al  Al24  1  0.811747  0.145679  0.403288  1
  Al  Al25  1  0.184548  0.185100  0.384936  1
  Al  Al26  1  0.105846  0.439730  0.422051  1
  Al  Al27  1  0.439199  0.106376  0.422051  1
  Al  Al28  1  0.281971  0.615878  0.496086  1
  Al  Al29  1  0.615382  0.282467  0.496086  1
  Al  Al30  1  0.654728  0.655233  0.477627  1
  Al  Al31  1  0.027142  0.694548  0.459066  1
  Al  Al32  1  0.360679  0.361190  0.459129  1
  Al  Al33  1  0.694035  0.027655  0.459065  1
  Al  Al34  1  0.066674  0.067196  0.440459  1
  Al  Al35  1  0.987977  0.321785  0.477542  1
  Al  Al36  1  0.321279  0.988481  0.477542  1
  Al  Al37  1  0.164133  0.497768  0.551715  1
  Al  Al38  1  0.497297  0.164605  0.551715  1
  Al  Al39  1  0.536849  0.537327  0.533077  1
  Al  Al40  1  0.909350  0.576475  0.514664  1
  Al  Al41  1  0.242780  0.243268  0.514735  1
  Al  Al42  1  0.575988  0.909837  0.514664  1
  Al  Al43  1  0.948763  0.949259  0.496023  1
  Al  Al44  1  0.870094  0.203910  0.533087  1
  Al  Al45  1  0.203430  0.870574  0.533086  1
  Al  Al46  1  0.046268  0.379893  0.607388  1
  Al  Al47  1  0.379452  0.046710  0.607388  1
  Al  Al48  1  0.418886  0.419343  0.588796  1
  Al  Al49  1  0.791600  0.458491  0.570182  1
  Al  Al50  1  0.124977  0.125439  0.570337  1
  Al  Al51  1  0.458031  0.792059  0.570182  1
  Al  Al52  1  0.830748  0.831219  0.551704  1
  Al  Al53  1  0.752080  0.085947  0.588487  1
  Al  Al54  1  0.085491  0.752537  0.588487  1
  Al  Al55  1  0.928180  0.262353  0.662898  1
  Al  Al56  1  0.261951  0.928585  0.662897  1
  Al  Al57  1  0.301775  0.302213  0.644935  1
  Al  Al58  1  0.673288  0.340732  0.625474  1
  Al  Al59  1  0.006993  0.007427  0.625602  1
  Al  Al60  1  0.340297  0.673725  0.625469  1
  Al  Al61  1  0.712984  0.713423  0.607428  1
  Al  Al62  1  0.634059  0.967965  0.644356  1
  Al  Al63  1  0.967532  0.634491  0.644356  1
  Al  Al64  1  0.807218  0.143475  0.716248  1
  Al  Al65  1  0.143158  0.807527  0.716246  1
  Al  Al66  1  0.182776  0.183169  0.698905  1
  Al  Al67  1  0.556937  0.221641  0.679990  1
  Al  Al68  1  0.889865  0.890293  0.680482  1
  Al  Al69  1  0.221201  0.557372  0.679988  1
  Al  Al70  1  0.596240  0.596640  0.662217  1
  Al  Al71  1  0.515820  0.849496  0.698694  1
  Al  Al72  1  0.849105  0.516216  0.698695  1
  Ni  Ni73  1  0.821805  0.988781  0.319640  1
  Ni  Ni74  1  0.154646  0.655392  0.319609  1
  Ni  Ni75  1  0.193950  0.027514  0.300779  1
  Ni  Ni76  1  0.568699  0.068586  0.283105  1
  Ni  Ni77  1  0.901444  0.735516  0.283246  1
  Ni  Ni78  1  0.233677  0.402775  0.282982  1
  Ni  Ni79  1  0.489032  0.320683  0.321059  1
  Ni  Ni80  1  0.527409  0.694405  0.300560  1
  Ni  Ni81  1  0.859692  0.361030  0.300657  1
  Ni  Ni82  1  0.839656  0.174762  0.309526  1
  Ni  Ni83  1  0.174192  0.840220  0.309524  1
  Ni  Ni84  1  0.214602  0.215204  0.291597  1
  Ni  Ni85  1  0.469450  0.135676  0.329717  1
  Ni  Ni86  1  0.802648  0.803234  0.329776  1
  Ni  Ni87  1  0.135086  0.470037  0.329719  1
  Ni  Ni88  1  0.509071  0.509646  0.311650  1
  Ni  Ni89  1  0.547896  0.881922  0.291638  1
  Ni  Ni90  1  0.881317  0.548500  0.291639  1
  Ni  Ni91  1  0.654825  0.155215  0.319607  1
  Ni  Ni92  1  0.988214  0.822365  0.319640  1
  Ni  Ni93  1  0.026935  0.194532  0.300779  1
  Ni  Ni94  1  0.402143  0.234317  0.282979  1
  Ni  Ni95  1  0.734886  0.902080  0.283248  1
  Ni  Ni96  1  0.067954  0.569335  0.283108  1
  Ni  Ni97  1  0.320097  0.489608  0.321069  1
  Ni  Ni98  1  0.360447  0.860268  0.300655  1
  Ni  Ni99  1  0.693823  0.527991  0.300562  1
  Ni  Ni100  1  0.704272  0.871179  0.375899  1
  Ni  Ni101  1  0.037124  0.537837  0.375878  1
  Ni  Ni102  1  0.077471  0.910099  0.357096  1
  Ni  Ni103  1  0.449001  0.948803  0.338691  1
  Ni  Ni104  1  0.782643  0.615865  0.338741  1
  Ni  Ni105  1  0.116156  0.282573  0.338722  1
  Ni  Ni106  1  0.370915  0.204674  0.375772  1
  Ni  Ni107  1  0.410306  0.577225  0.357783  1
  Ni  Ni108  1  0.743308  0.243753  0.356921  1
  Ni  Ni109  1  0.723759  0.057400  0.366194  1
  Ni  Ni110  1  0.056848  0.724309  0.366195  1
  Ni  Ni111  1  0.096577  0.097142  0.347828  1
  Ni  Ni112  1  0.350947  0.018328  0.384908  1
  Ni  Ni113  1  0.684610  0.685163  0.385050  1
  Ni  Ni114  1  0.017778  0.351499  0.384908  1
  Ni  Ni115  1  0.390443  0.390989  0.366811  1
  Ni  Ni116  1  0.429652  0.762798  0.347561  1
  Ni  Ni117  1  0.762238  0.430218  0.347563  1
  Ni  Ni118  1  0.537281  0.037680  0.375876  1
  Ni  Ni119  1  0.870621  0.704829  0.375900  1
  Ni  Ni120  1  0.909546  0.078025  0.357097  1
  Ni  Ni121  1  0.281995  0.116733  0.338722  1
  Ni  Ni122  1  0.615286  0.783222  0.338741  1
  Ni  Ni123  1  0.948226  0.449581  0.338693  1
  Ni  Ni124  1  0.204123  0.371470  0.375772  1
  Ni  Ni125  1  0.243200  0.743858  0.356919  1
  Ni  Ni126  1  0.576667  0.410863  0.357782  1
  Ni  Ni127  1  0.586314  0.753525  0.431298  1
  Ni  Ni128  1  0.919475  0.420055  0.431175  1
  Ni  Ni129  1  0.958949  0.792869  0.412708  1
  Ni  Ni130  1  0.331458  0.831956  0.393963  1
  Ni  Ni131  1  0.665116  0.498872  0.394258  1
  Ni  Ni132  1  0.998216  0.165469  0.394101  1
  Ni  Ni133  1  0.252914  0.086783  0.431250  1
  Ni  Ni134  1  0.292109  0.459586  0.412897  1
  Ni  Ni135  1  0.625770  0.125726  0.412786  1
  Ni  Ni136  1  0.605895  0.939585  0.422087  1
  Ni  Ni137  1  0.939053  0.606428  0.422088  1
  Ni  Ni138  1  0.978688  0.979223  0.403377  1
  Ni  Ni139  1  0.233266  0.900355  0.440387  1
  Ni  Ni140  1  0.566741  0.567264  0.440588  1
  Ni  Ni141  1  0.899834  0.233788  0.440387  1
  Ni  Ni142  1  0.272602  0.273132  0.422060  1
  Ni  Ni143  1  0.311618  0.646103  0.403589  1
  Ni  Ni144  1  0.645564  0.312155  0.403588  1
  Ni  Ni145  1  0.419527  0.920002  0.431175  1
  Ni  Ni146  1  0.752996  0.586843  0.431298  1
  Ni  Ni147  1  0.792335  0.959482  0.412708  1
  Ni  Ni148  1  0.164925  0.998759  0.394100  1
  Ni  Ni149  1  0.498328  0.665661  0.394258  1
  Ni  Ni150  1  0.831414  0.332002  0.393964  1
  Ni  Ni151  1  0.086256  0.253442  0.431250  1
  Ni  Ni152  1  0.125191  0.626304  0.412787  1
  Ni  Ni153  1  0.459054  0.292639  0.412896  1
  Ni  Ni154  1  0.468386  0.635620  0.486830  1
  Ni  Ni155  1  0.801706  0.302132  0.486767  1
  Ni  Ni156  1  0.840961  0.674823  0.468396  1
  Ni  Ni157  1  0.213434  0.714243  0.449770  1
  Ni  Ni158  1  0.547120  0.380750  0.449884  1
  Ni  Ni159  1  0.880348  0.047524  0.449697  1
  Ni  Ni160  1  0.135082  0.968885  0.486775  1
  Ni  Ni161  1  0.174339  0.341480  0.468363  1
  Ni  Ni162  1  0.507540  0.008088  0.468336  1
  Ni  Ni163  1  0.487938  0.821870  0.477564  1
  Ni  Ni164  1  0.821365  0.488444  0.477564  1
  Ni  Ni165  1  0.860700  0.861213  0.459059  1
  Ni  Ni166  1  0.115309  0.782541  0.496037  1
  Ni  Ni167  1  0.448739  0.449235  0.496119  1
  Ni  Ni168  1  0.782044  0.115806  0.496037  1
  Ni  Ni169  1  0.154717  0.155222  0.477602  1
  Ni  Ni170  1  0.193829  0.527892  0.459106  1
  Ni  Ni171  1  0.527380  0.194341  0.459106  1
  Ni  Ni172  1  0.301631  0.802207  0.486766  1
  Ni  Ni173  1  0.635119  0.468887  0.486830  1
  Ni  Ni174  1  0.674314  0.841471  0.468395  1
  Ni  Ni175  1  0.047008  0.880864  0.449697  1
  Ni  Ni176  1  0.380233  0.547637  0.449884  1
  Ni  Ni177  1  0.713726  0.213951  0.449770  1
  Ni  Ni178  1  0.968384  0.135584  0.486775  1
  Ni  Ni179  1  0.007580  0.508049  0.468336  1
  Ni  Ni180  1  0.340971  0.174847  0.468363  1
  Ni  Ni181  1  0.350528  0.517521  0.542379  1
  Ni  Ni182  1  0.683626  0.184262  0.542327  1
  Ni  Ni183  1  0.723169  0.556881  0.523903  1
  Ni  Ni184  1  0.095596  0.596149  0.505371  1
  Ni  Ni185  1  0.429028  0.262873  0.505419  1
  Ni  Ni186  1  0.762403  0.929493  0.505374  1
  Ni  Ni187  1  0.017151  0.850953  0.542301  1
  Ni  Ni188  1  0.056486  0.223574  0.523937  1
  Ni  Ni189  1  0.389622  0.890267  0.523873  1
  Ni  Ni190  1  0.370060  0.703936  0.533064  1
  Ni  Ni191  1  0.703457  0.370539  0.533065  1
  Ni  Ni192  1  0.742741  0.743228  0.514714  1
  Ni  Ni193  1  0.997329  0.664527  0.551665  1
  Ni  Ni194  1  0.330846  0.331317  0.551823  1
  Ni  Ni195  1  0.664056  0.997799  0.551666  1
  Ni  Ni196  1  0.036854  0.037334  0.533101  1
  Ni  Ni197  1  0.076076  0.409788  0.514672  1
  Ni  Ni198  1  0.409301  0.076563  0.514672  1
  Ni  Ni199  1  0.183786  0.684102  0.542326  1
  Ni  Ni200  1  0.517046  0.351003  0.542379  1
  Ni  Ni201  1  0.556399  0.723651  0.523903  1
  Ni  Ni202  1  0.929001  0.762895  0.505374  1
  Ni  Ni203  1  0.262382  0.429519  0.505419  1
  Ni  Ni204  1  0.595657  0.096087  0.505371  1
  Ni  Ni205  1  0.850477  0.017628  0.542301  1
  Ni  Ni206  1  0.889785  0.390105  0.523873  1
  Ni  Ni207  1  0.223090  0.056970  0.523937  1
  Ni  Ni208  1  0.232687  0.399571  0.598238  1
  Ni  Ni209  1  0.565571  0.066185  0.597953  1
  Ni  Ni210  1  0.605247  0.439048  0.579294  1
  Ni  Ni211  1  0.977759  0.478120  0.560964  1
  Ni  Ni212  1  0.311157  0.145031  0.561098  1
  Ni  Ni213  1  0.644417  0.811574  0.561032  1
  Ni  Ni214  1  0.899080  0.732855  0.598061  1
  Ni  Ni215  1  0.938644  0.105701  0.579375  1
  Ni  Ni216  1  0.271861  0.772203  0.579333  1
  Ni  Ni217  1  0.252413  0.585509  0.588623  1
  Ni  Ni218  1  0.585052  0.252871  0.588625  1
  Ni  Ni219  1  0.624912  0.625370  0.570181  1
  Ni  Ni220  1  0.879727  0.546466  0.607320  1
  Ni  Ni221  1  0.213219  0.213662  0.607571  1
  Ni  Ni222  1  0.546026  0.880168  0.607320  1
  Ni  Ni223  1  0.918841  0.919297  0.588519  1
  Ni  Ni224  1  0.958213  0.291898  0.570247  1
  Ni  Ni225  1  0.291437  0.958674  0.570246  1
  Ni  Ni226  1  0.065734  0.566021  0.597952  1
  Ni  Ni227  1  0.399119  0.233140  0.598238  1
  Ni  Ni228  1  0.438593  0.605702  0.579293  1
  Ni  Ni229  1  0.811110  0.644881  0.561032  1
  Ni  Ni230  1  0.144566  0.311622  0.561098  1
  Ni  Ni231  1  0.477656  0.978224  0.560964  1
  Ni  Ni232  1  0.732405  0.899530  0.598061  1
  Ni  Ni233  1  0.771744  0.272320  0.579335  1
  Ni  Ni234  1  0.105242  0.939103  0.579375  1
  Ni  Ni235  1  0.114860  0.282594  0.653775  1
  Ni  Ni236  1  0.447706  0.949103  0.653638  1
  Ni  Ni237  1  0.486655  0.321744  0.635242  1
  Ni  Ni238  1  0.859940  0.360241  0.616545  1
  Ni  Ni239  1  0.193405  0.027171  0.616668  1
  Ni  Ni240  1  0.526595  0.694034  0.616393  1
  Ni  Ni241  1  0.781747  0.615926  0.653613  1
  Ni  Ni242  1  0.820532  0.987857  0.634654  1
  Ni  Ni243  1  0.153549  0.654530  0.634505  1
  Ni  Ni244  1  0.133786  0.467909  0.644439  1
  Ni  Ni245  1  0.467475  0.134221  0.644439  1
  Ni  Ni246  1  0.507248  0.507676  0.625433  1
  Ni  Ni247  1  0.761296  0.428776  0.662656  1
  Ni  Ni248  1  0.094994  0.095397  0.662911  1
  Ni  Ni249  1  0.428372  0.761704  0.662654  1
  Ni  Ni250  1  0.801097  0.801530  0.644599  1
  Ni  Ni251  1  0.840333  0.174194  0.625489  1
  Ni  Ni252  1  0.173760  0.840769  0.625487  1
  Ni  Ni253  1  0.948684  0.448121  0.653638  1
  Ni  Ni254  1  0.282177  0.115278  0.653775  1
  Ni  Ni255  1  0.321297  0.487101  0.635239  1
  Ni  Ni256  1  0.693603  0.527028  0.616394  1
  Ni  Ni257  1  0.026734  0.193840  0.616669  1
  Ni  Ni258  1  0.359806  0.860376  0.616544  1
  Ni  Ni259  1  0.615510  0.782162  0.653612  1
  Ni  Ni260  1  0.654089  0.153990  0.634507  1
  Ni  Ni261  1  0.987417  0.820974  0.634654  1
  Ni  Ni262  1  0.996107  0.163598  0.709902  1
  Ni  Ni263  1  0.330341  0.828627  0.709768  1
  Ni  Ni264  1  0.371142  0.204722  0.691797  1
  Ni  Ni265  1  0.741497  0.243724  0.671311  1
  Ni  Ni266  1  0.075861  0.909777  0.671465  1
  Ni  Ni267  1  0.410693  0.575622  0.671646  1
  Ni  Ni268  1  0.661167  0.497147  0.709315  1
  Ni  Ni269  1  0.704060  0.870878  0.691869  1
  Ni  Ni270  1  0.036887  0.537520  0.691809  1
  Ni  Ni271  1  0.016361  0.350261  0.700818  1
  Ni  Ni272  1  0.349866  0.016755  0.700818  1
  Ni  Ni273  1  0.392027  0.392486  0.683811  1
  Ni  Ni274  1  0.636257  0.312234  0.717163  1
  Ni  Ni275  1  0.974593  0.974912  0.718050  1
  Ni  Ni276  1  0.311911  0.636557  0.717156  1
  Ni  Ni277  1  0.683170  0.683566  0.700657  1
  Ni  Ni278  1  0.722141  0.055466  0.681081  1
  Ni  Ni279  1  0.055035  0.722571  0.681080  1
  Ni  Ni280  1  0.828267  0.330707  0.709769  1
  Ni  Ni281  1  0.163233  0.996468  0.709901  1
  Ni  Ni282  1  0.204297  0.371564  0.691799  1
  Ni  Ni283  1  0.575207  0.411103  0.671656  1
  Ni  Ni284  1  0.909382  0.076256  0.671465  1
  Ni  Ni285  1  0.243326  0.741897  0.671307  1
  Ni  Ni286  1  0.496776  0.661524  0.709309  1
  Ni  Ni287  1  0.537102  0.037307  0.691809  1
  Ni  Ni288  1  0.870461  0.704482  0.691870  1
