# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.48118471
_cell_length_b   7.26328164
_cell_length_c   48.16865509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.75748154
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   7996.73762616
_cell_formula_units_Z   42
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  0.405404  0.773041  0.298007  1
  Al  Al2  1  0.734791  0.526084  0.324366  1
  Al  Al3  1  0.080494  0.961250  0.277099  1
  Al  Al4  1  0.511481  0.551870  0.274319  1
  Al  Al5  1  0.832475  0.320626  0.297244  1
  Al  Al6  1  0.159987  0.081262  0.320150  1
  Al  Al7  1  0.307372  0.977470  0.329082  1
  Al  Al8  1  0.650409  0.460891  0.283352  1
  Al  Al9  1  0.982597  0.210766  0.306634  1
  Al  Al10  1  0.234791  0.526084  0.324366  1
  Al  Al11  1  0.580494  0.961250  0.277099  1
  Al  Al12  1  0.905404  0.773041  0.298007  1
  Al  Al13  1  0.332475  0.320626  0.297244  1
  Al  Al14  1  0.659987  0.081262  0.320150  1
  Al  Al15  1  0.011481  0.551870  0.274319  1
  Al  Al16  1  0.482597  0.210766  0.306634  1
  Al  Al17  1  0.807372  0.977470  0.329082  1
  Al  Al18  1  0.150409  0.460891  0.283352  1
  Al  Al19  1  0.387538  0.048929  0.368746  1
  Al  Al20  1  0.714401  0.812391  0.390955  1
  Al  Al21  1  0.060434  0.290791  0.346146  1
  Al  Al22  1  0.486518  0.842758  0.341795  1
  Al  Al23  1  0.814072  0.605756  0.362968  1
  Al  Al24  1  0.140199  0.367747  0.385248  1
  Al  Al25  1  0.288754  0.259028  0.395619  1
  Al  Al26  1  0.635034  0.735799  0.351616  1
  Al  Al27  1  0.961558  0.498839  0.372710  1
  Al  Al28  1  0.214401  0.812391  0.390955  1
  Al  Al29  1  0.560434  0.290791  0.346146  1
  Al  Al30  1  0.887538  0.048929  0.368746  1
  Al  Al31  1  0.314072  0.605756  0.362968  1
  Al  Al32  1  0.640199  0.367747  0.385248  1
  Al  Al33  1  0.986518  0.842758  0.341795  1
  Al  Al34  1  0.461558  0.498839  0.372710  1
  Al  Al35  1  0.788754  0.259028  0.395619  1
  Al  Al36  1  0.135034  0.735799  0.351616  1
  Al  Al37  1  0.368024  0.336797  0.434956  1
  Al  Al38  1  0.694569  0.098978  0.457206  1
  Al  Al39  1  0.041139  0.574839  0.412770  1
  Al  Al40  1  0.466812  0.129292  0.407702  1
  Al  Al41  1  0.793488  0.891247  0.429915  1
  Al  Al42  1  0.120264  0.653006  0.452247  1
  Al  Al43  1  0.269039  0.544482  0.462260  1
  Al  Al44  1  0.615277  0.021348  0.417959  1
  Al  Al45  1  0.942109  0.782641  0.440103  1
  Al  Al46  1  0.194569  0.098978  0.457206  1
  Al  Al47  1  0.541139  0.574839  0.412770  1
  Al  Al48  1  0.868024  0.336797  0.434956  1
  Al  Al49  1  0.293488  0.891247  0.429915  1
  Al  Al50  1  0.620264  0.653006  0.452247  1
  Al  Al51  1  0.966812  0.129292  0.407702  1
  Al  Al52  1  0.442109  0.782641  0.440103  1
  Al  Al53  1  0.769039  0.544482  0.462260  1
  Al  Al54  1  0.115277  0.021348  0.417959  1
  Al  Al55  1  0.348088  0.622206  0.501657  1
  Al  Al56  1  0.674830  0.384035  0.523898  1
  Al  Al57  1  0.021305  0.860317  0.479505  1
  Al  Al58  1  0.447014  0.414790  0.474259  1
  Al  Al59  1  0.773756  0.176456  0.496634  1
  Al  Al60  1  0.100461  0.938137  0.518921  1
  Al  Al61  1  0.249138  0.829756  0.529041  1
  Al  Al62  1  0.595650  0.306385  0.484462  1
  Al  Al63  1  0.922356  0.068028  0.506728  1
  Al  Al64  1  0.174830  0.384035  0.523898  1
  Al  Al65  1  0.521305  0.860317  0.479505  1
  Al  Al66  1  0.848088  0.622206  0.501657  1
  Al  Al67  1  0.273756  0.176456  0.496634  1
  Al  Al68  1  0.600461  0.938137  0.518921  1
  Al  Al69  1  0.947014  0.414790  0.474259  1
  Al  Al70  1  0.422356  0.068028  0.506728  1
  Al  Al71  1  0.749138  0.829756  0.529041  1
  Al  Al72  1  0.095650  0.306385  0.484462  1
  Al  Al73  1  0.328204  0.907461  0.568412  1
  Al  Al74  1  0.655128  0.669467  0.590628  1
  Al  Al75  1  0.001573  0.145366  0.546223  1
  Al  Al76  1  0.427129  0.699892  0.541090  1
  Al  Al77  1  0.753962  0.461801  0.563303  1
  Al  Al78  1  0.080673  0.223303  0.585622  1
  Al  Al79  1  0.229364  0.115069  0.595728  1
  Al  Al80  1  0.575911  0.591559  0.551069  1
  Al  Al81  1  0.902681  0.353082  0.573444  1
  Al  Al82  1  0.155128  0.669467  0.590628  1
  Al  Al83  1  0.501573  0.145366  0.546223  1
  Al  Al84  1  0.828204  0.907461  0.568412  1
  Al  Al85  1  0.253962  0.461801  0.563303  1
  Al  Al86  1  0.580673  0.223303  0.585622  1
  Al  Al87  1  0.927129  0.699892  0.541090  1
  Al  Al88  1  0.402681  0.353082  0.573444  1
  Al  Al89  1  0.729364  0.115069  0.595728  1
  Al  Al90  1  0.075911  0.591559  0.551069  1
  Al  Al91  1  0.308267  0.194908  0.634786  1
  Al  Al92  1  0.635237  0.955391  0.656825  1
  Al  Al93  1  0.981784  0.431227  0.612625  1
  Al  Al94  1  0.407287  0.985686  0.607646  1
  Al  Al95  1  0.734557  0.746399  0.630304  1
  Al  Al96  1  0.061309  0.508901  0.651346  1
  Al  Al97  1  0.209645  0.400459  0.662151  1
  Al  Al98  1  0.556136  0.876301  0.618132  1
  Al  Al99  1  0.882390  0.637831  0.640456  1
  Al  Al100  1  0.135237  0.955391  0.656825  1
  Al  Al101  1  0.481784  0.431227  0.612625  1
  Al  Al102  1  0.808267  0.194908  0.634786  1
  Al  Al103  1  0.234557  0.746399  0.630304  1
  Al  Al104  1  0.561309  0.508901  0.651346  1
  Al  Al105  1  0.907287  0.985686  0.607646  1
  Al  Al106  1  0.382390  0.637831  0.640456  1
  Al  Al107  1  0.709645  0.400459  0.662151  1
  Al  Al108  1  0.056136  0.876301  0.618132  1
  Al  Al109  1  0.289237  0.483703  0.703170  1
  Al  Al110  1  0.612863  0.285541  0.725479  1
  Al  Al111  1  0.960582  0.721348  0.678210  1
  Al  Al112  1  0.388669  0.267945  0.673965  1
  Al  Al113  1  0.713996  0.033915  0.696788  1
  Al  Al114  1  0.045205  0.790930  0.719770  1
  Al  Al115  1  0.185536  0.689787  0.728670  1
  Al  Al116  1  0.536045  0.160761  0.684966  1
  Al  Al117  1  0.862833  0.923127  0.706196  1
  Al  Al118  1  0.112863  0.285541  0.725479  1
  Al  Al119  1  0.460582  0.721348  0.678210  1
  Al  Al120  1  0.789237  0.483703  0.703170  1
  Al  Al121  1  0.213996  0.033915  0.696788  1
  Al  Al122  1  0.545205  0.790930  0.719770  1
  Al  Al123  1  0.888669  0.267945  0.673965  1
  Al  Al124  1  0.362833  0.923127  0.706196  1
  Al  Al125  1  0.685536  0.689787  0.728670  1
  Al  Al126  1  0.036045  0.160761  0.684966  1
  Ni  Ni127  1  0.416325  0.120613  0.270659  1
  Ni  Ni128  1  0.743228  0.884177  0.292261  1
  Ni  Ni129  1  0.071438  0.646702  0.313086  1
  Ni  Ni130  1  0.325715  0.011589  0.279355  1
  Ni  Ni131  1  0.658873  0.765387  0.302743  1
  Ni  Ni132  1  0.983318  0.532570  0.323000  1
  Ni  Ni133  1  0.492646  0.879755  0.292536  1
  Ni  Ni134  1  0.821778  0.648347  0.311943  1
  Ni  Ni135  1  0.164912  0.117276  0.270312  1
  Ni  Ni136  1  0.401754  0.068810  0.320706  1
  Ni  Ni137  1  0.747841  0.551738  0.275942  1
  Ni  Ni138  1  0.076319  0.293417  0.297880  1
  Ni  Ni139  1  0.413126  0.459050  0.283294  1
  Ni  Ni140  1  0.737716  0.228283  0.303683  1
  Ni  Ni141  1  0.066444  0.983786  0.327522  1
  Ni  Ni142  1  0.243228  0.884177  0.292261  1
  Ni  Ni143  1  0.571438  0.646702  0.313086  1
  Ni  Ni144  1  0.916325  0.120613  0.270659  1
  Ni  Ni145  1  0.483318  0.532570  0.323000  1
  Ni  Ni146  1  0.825715  0.011589  0.279355  1
  Ni  Ni147  1  0.158873  0.765387  0.302743  1
  Ni  Ni148  1  0.321778  0.648347  0.311943  1
  Ni  Ni149  1  0.664912  0.117276  0.270312  1
  Ni  Ni150  1  0.992646  0.879755  0.292536  1
  Ni  Ni151  1  0.247841  0.551738  0.275942  1
  Ni  Ni152  1  0.576319  0.293417  0.297880  1
  Ni  Ni153  1  0.901754  0.068810  0.320706  1
  Ni  Ni154  1  0.237716  0.228283  0.303683  1
  Ni  Ni155  1  0.566444  0.983786  0.327522  1
  Ni  Ni156  1  0.913126  0.459050  0.283294  1
  Ni  Ni157  1  0.397691  0.408037  0.334894  1
  Ni  Ni158  1  0.724266  0.173396  0.356804  1
  Ni  Ni159  1  0.051024  0.932753  0.379493  1
  Ni  Ni160  1  0.311290  0.288674  0.346353  1
  Ni  Ni161  1  0.637651  0.051283  0.368732  1
  Ni  Ni162  1  0.964503  0.812184  0.390764  1
  Ni  Ni163  1  0.474128  0.169686  0.357156  1
  Ni  Ni164  1  0.800585  0.932958  0.379329  1
  Ni  Ni165  1  0.147602  0.410001  0.334591  1
  Ni  Ni166  1  0.382439  0.356899  0.386374  1
  Ni  Ni167  1  0.729060  0.831609  0.342840  1
  Ni  Ni168  1  0.055603  0.594700  0.364267  1
  Ni  Ni169  1  0.392936  0.747522  0.348625  1
  Ni  Ni170  1  0.720029  0.507955  0.372519  1
  Ni  Ni171  1  0.046274  0.270019  0.394528  1
  Ni  Ni172  1  0.224266  0.173396  0.356804  1
  Ni  Ni173  1  0.551024  0.932753  0.379493  1
  Ni  Ni174  1  0.897691  0.408037  0.334894  1
  Ni  Ni175  1  0.464503  0.812184  0.390764  1
  Ni  Ni176  1  0.811290  0.288674  0.346353  1
  Ni  Ni177  1  0.137651  0.051283  0.368732  1
  Ni  Ni178  1  0.300585  0.932958  0.379329  1
  Ni  Ni179  1  0.647602  0.410001  0.334591  1
  Ni  Ni180  1  0.974128  0.169686  0.357156  1
  Ni  Ni181  1  0.229060  0.831609  0.342840  1
  Ni  Ni182  1  0.555603  0.594700  0.364267  1
  Ni  Ni183  1  0.882439  0.356899  0.386374  1
  Ni  Ni184  1  0.220029  0.507955  0.372519  1
  Ni  Ni185  1  0.546274  0.270019  0.394528  1
  Ni  Ni186  1  0.892936  0.747522  0.348625  1
  Ni  Ni187  1  0.377708  0.695724  0.401126  1
  Ni  Ni188  1  0.704669  0.456435  0.423869  1
  Ni  Ni189  1  0.031101  0.218613  0.446017  1
  Ni  Ni190  1  0.291530  0.575011  0.412694  1
  Ni  Ni191  1  0.617946  0.337531  0.434897  1
  Ni  Ni192  1  0.944621  0.098403  0.457261  1
  Ni  Ni193  1  0.454342  0.457364  0.423523  1
  Ni  Ni194  1  0.781265  0.217842  0.446128  1
  Ni  Ni195  1  0.127626  0.694012  0.401848  1
  Ni  Ni196  1  0.362505  0.642912  0.452986  1
  Ni  Ni197  1  0.708977  0.119725  0.408604  1
  Ni  Ni198  1  0.035679  0.880916  0.430982  1
  Ni  Ni199  1  0.373182  0.030850  0.417024  1
  Ni  Ni200  1  0.699938  0.792888  0.439271  1
  Ni  Ni201  1  0.026686  0.554805  0.461285  1
  Ni  Ni202  1  0.204669  0.456435  0.423869  1
  Ni  Ni203  1  0.531101  0.218613  0.446017  1
  Ni  Ni204  1  0.877708  0.695724  0.401126  1
  Ni  Ni205  1  0.444621  0.098403  0.457261  1
  Ni  Ni206  1  0.791530  0.575011  0.412694  1
  Ni  Ni207  1  0.117946  0.337531  0.434897  1
  Ni  Ni208  1  0.281265  0.217842  0.446128  1
  Ni  Ni209  1  0.627626  0.694012  0.401848  1
  Ni  Ni210  1  0.954342  0.457364  0.423523  1
  Ni  Ni211  1  0.208977  0.119725  0.408604  1
  Ni  Ni212  1  0.535679  0.880916  0.430982  1
  Ni  Ni213  1  0.862505  0.642912  0.452986  1
  Ni  Ni214  1  0.199938  0.792888  0.439271  1
  Ni  Ni215  1  0.526686  0.554805  0.461285  1
  Ni  Ni216  1  0.873182  0.030850  0.417024  1
  Ni  Ni217  1  0.357916  0.979352  0.468392  1
  Ni  Ni218  1  0.684698  0.741363  0.490634  1
  Ni  Ni219  1  0.011444  0.503132  0.512740  1
  Ni  Ni220  1  0.271294  0.860452  0.479484  1
  Ni  Ni221  1  0.598089  0.622252  0.501673  1
  Ni  Ni222  1  0.924864  0.383909  0.523877  1
  Ni  Ni223  1  0.434666  0.741205  0.490583  1
  Ni  Ni224  1  0.761466  0.503256  0.512781  1
  Ni  Ni225  1  0.107866  0.979758  0.468407  1
  Ni  Ni226  1  0.342656  0.927977  0.519854  1
  Ni  Ni227  1  0.689289  0.404634  0.475353  1
  Ni  Ni228  1  0.015934  0.166365  0.497596  1
  Ni  Ni229  1  0.353485  0.316440  0.483502  1
  Ni  Ni230  1  0.680165  0.078197  0.505785  1
  Ni  Ni231  1  0.006848  0.839955  0.527987  1
  Ni  Ni232  1  0.184698  0.741363  0.490634  1
  Ni  Ni233  1  0.511444  0.503132  0.512740  1
  Ni  Ni234  1  0.857916  0.979352  0.468392  1
  Ni  Ni235  1  0.424864  0.383909  0.523877  1
  Ni  Ni236  1  0.771294  0.860452  0.479484  1
  Ni  Ni237  1  0.098089  0.622252  0.501673  1
  Ni  Ni238  1  0.261466  0.503256  0.512781  1
  Ni  Ni239  1  0.607866  0.979758  0.468407  1
  Ni  Ni240  1  0.934666  0.741205  0.490583  1
  Ni  Ni241  1  0.189289  0.404634  0.475353  1
  Ni  Ni242  1  0.515934  0.166365  0.497596  1
  Ni  Ni243  1  0.842656  0.927977  0.519854  1
  Ni  Ni244  1  0.180165  0.078197  0.505785  1
  Ni  Ni245  1  0.506848  0.839955  0.527987  1
  Ni  Ni246  1  0.853485  0.316440  0.483502  1
  Ni  Ni247  1  0.338166  0.265138  0.534970  1
  Ni  Ni248  1  0.664954  0.026343  0.557298  1
  Ni  Ni249  1  0.991495  0.788596  0.579346  1
  Ni  Ni250  1  0.251529  0.145844  0.546149  1
  Ni  Ni251  1  0.578278  0.906971  0.568487  1
  Ni  Ni252  1  0.904786  0.669076  0.590664  1
  Ni  Ni253  1  0.414821  0.026851  0.557187  1
  Ni  Ni254  1  0.741782  0.787811  0.579651  1
  Ni  Ni255  1  0.088186  0.264765  0.535027  1
  Ni  Ni256  1  0.322876  0.213584  0.586379  1
  Ni  Ni257  1  0.669477  0.689734  0.542080  1
  Ni  Ni258  1  0.996213  0.451534  0.564176  1
  Ni  Ni259  1  0.333654  0.601524  0.550301  1
  Ni  Ni260  1  0.660401  0.363327  0.572467  1
  Ni  Ni261  1  0.987205  0.124370  0.594872  1
  Ni  Ni262  1  0.164954  0.026343  0.557298  1
  Ni  Ni263  1  0.491495  0.788596  0.579346  1
  Ni  Ni264  1  0.838166  0.265138  0.534970  1
  Ni  Ni265  1  0.404786  0.669076  0.590664  1
  Ni  Ni266  1  0.751529  0.145844  0.546149  1
  Ni  Ni267  1  0.078278  0.906971  0.568487  1
  Ni  Ni268  1  0.241782  0.787811  0.579651  1
  Ni  Ni269  1  0.588186  0.264765  0.535027  1
  Ni  Ni270  1  0.914821  0.026851  0.557187  1
  Ni  Ni271  1  0.169477  0.689734  0.542080  1
  Ni  Ni272  1  0.496213  0.451534  0.564176  1
  Ni  Ni273  1  0.822876  0.213584  0.586379  1
  Ni  Ni274  1  0.160401  0.363327  0.572467  1
  Ni  Ni275  1  0.487205  0.124370  0.594872  1
  Ni  Ni276  1  0.833654  0.601524  0.550301  1
  Ni  Ni277  1  0.318433  0.549130  0.601995  1
  Ni  Ni278  1  0.645082  0.310795  0.624030  1
  Ni  Ni279  1  0.972069  0.070123  0.646696  1
  Ni  Ni280  1  0.231577  0.431717  0.612784  1
  Ni  Ni281  1  0.558064  0.192480  0.635238  1
  Ni  Ni282  1  0.884460  0.957148  0.656789  1
  Ni  Ni283  1  0.395512  0.310861  0.623984  1
  Ni  Ni284  1  0.722158  0.073226  0.646317  1
  Ni  Ni285  1  0.068589  0.550809  0.601368  1
  Ni  Ni286  1  0.303108  0.497575  0.653903  1
  Ni  Ni287  1  0.649791  0.974798  0.608665  1
  Ni  Ni288  1  0.976177  0.737009  0.630454  1
  Ni  Ni289  1  0.313849  0.887064  0.617031  1
  Ni  Ni290  1  0.640875  0.648888  0.639240  1
  Ni  Ni291  1  0.967484  0.410923  0.660974  1
  Ni  Ni292  1  0.145082  0.310795  0.624030  1
  Ni  Ni293  1  0.472069  0.070123  0.646696  1
  Ni  Ni294  1  0.818433  0.549130  0.601995  1
  Ni  Ni295  1  0.384460  0.957148  0.656789  1
  Ni  Ni296  1  0.731577  0.431717  0.612784  1
  Ni  Ni297  1  0.058064  0.192480  0.635238  1
  Ni  Ni298  1  0.222158  0.073226  0.646317  1
  Ni  Ni299  1  0.568589  0.550809  0.601368  1
  Ni  Ni300  1  0.895512  0.310861  0.623984  1
  Ni  Ni301  1  0.149791  0.974798  0.608665  1
  Ni  Ni302  1  0.476177  0.737009  0.630454  1
  Ni  Ni303  1  0.803108  0.497575  0.653903  1
  Ni  Ni304  1  0.140875  0.648888  0.639240  1
  Ni  Ni305  1  0.467484  0.410923  0.660974  1
  Ni  Ni306  1  0.813849  0.887064  0.617031  1
  Ni  Ni307  1  0.299047  0.833407  0.668742  1
  Ni  Ni308  1  0.626028  0.592872  0.690720  1
  Ni  Ni309  1  0.955395  0.351083  0.712601  1
  Ni  Ni310  1  0.211800  0.717095  0.679575  1
  Ni  Ni311  1  0.536558  0.488860  0.699475  1
  Ni  Ni312  1  0.866560  0.239268  0.722799  1
  Ni  Ni313  1  0.375942  0.590845  0.691805  1
  Ni  Ni314  1  0.705805  0.354556  0.712518  1
  Ni  Ni315  1  0.049000  0.832803  0.668879  1
  Ni  Ni316  1  0.282713  0.789731  0.720272  1
  Ni  Ni317  1  0.629349  0.260339  0.675756  1
  Ni  Ni318  1  0.956693  0.016355  0.699292  1
  Ni  Ni319  1  0.294270  0.175107  0.683408  1
  Ni  Ni320  1  0.620638  0.948962  0.705245  1
  Ni  Ni321  1  0.948402  0.691983  0.726771  1
  Ni  Ni322  1  0.126028  0.592872  0.690720  1
  Ni  Ni323  1  0.455395  0.351083  0.712601  1
  Ni  Ni324  1  0.799047  0.833407  0.668742  1
  Ni  Ni325  1  0.366560  0.239268  0.722799  1
  Ni  Ni326  1  0.711800  0.717095  0.679575  1
  Ni  Ni327  1  0.036558  0.488860  0.699475  1
  Ni  Ni328  1  0.205805  0.354556  0.712518  1
  Ni  Ni329  1  0.549000  0.832803  0.668879  1
  Ni  Ni330  1  0.875942  0.590845  0.691805  1
  Ni  Ni331  1  0.129349  0.260339  0.675756  1
  Ni  Ni332  1  0.456693  0.016355  0.699292  1
  Ni  Ni333  1  0.782713  0.789731  0.720272  1
  Ni  Ni334  1  0.120638  0.948962  0.705245  1
  Ni  Ni335  1  0.448402  0.691983  0.726771  1
  Ni  Ni336  1  0.794270  0.175107  0.683408  1
