# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.58991264
_cell_length_b   24.90934879
_cell_length_c   49.14301066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al108 Ni180'
_cell_volume   6842.72606375
_cell_formula_units_Z   36
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  1.061308  0.359277  0.295779  1
  Al  Al2  1  1.061308  0.707960  0.319599  1
  Al  Al3  1  1.061308  0.009669  0.265341  1
  Al  Al4  1  1.061308  0.463581  0.319848  1
  Al  Al5  1  1.061308  0.761846  0.266860  1
  Al  Al6  1  1.061308  0.114487  0.295274  1
  Al  Al7  1  1.061308  0.255639  0.269442  1
  Al  Al8  1  1.061308  0.603639  0.296858  1
  Al  Al9  1  1.061308  0.908098  0.244223  1
  Al  Al10  1  0.561308  0.165692  0.241555  1
  Al  Al11  1  0.561308  0.510043  0.265436  1
  Al  Al12  1  0.561308  0.858985  0.295915  1
  Al  Al13  1  0.561308  0.263717  0.267912  1
  Al  Al14  1  0.561308  0.613134  0.296120  1
  Al  Al15  1  0.561308  0.963981  0.319750  1
  Al  Al16  1  0.561308  0.408145  0.244288  1
  Al  Al17  1  0.561308  0.754761  0.268545  1
  Al  Al18  1  0.561308  0.104418  0.296306  1
  Al  Al19  1  1.061308  0.407517  0.371825  1
  Al  Al20  1  1.061308  0.756602  0.396590  1
  Al  Al21  1  1.061308  0.057453  0.345022  1
  Al  Al22  1  1.061308  0.511478  0.396236  1
  Al  Al23  1  1.061308  0.812350  0.344437  1
  Al  Al24  1  1.061308  0.162261  0.371281  1
  Al  Al25  1  1.061308  0.303329  0.346470  1
  Al  Al26  1  1.061308  0.652898  0.372658  1
  Al  Al27  1  1.061308  0.954012  0.320424  1
  Al  Al28  1  0.561308  0.209359  0.321325  1
  Al  Al29  1  0.561308  0.557171  0.345161  1
  Al  Al30  1  0.561308  0.907647  0.371716  1
  Al  Al31  1  0.561308  0.312697  0.345248  1
  Al  Al32  1  0.561308  0.662373  0.371048  1
  Al  Al33  1  0.561308  0.011509  0.396278  1
  Al  Al34  1  0.561308  0.453460  0.320364  1
  Al  Al35  1  0.561308  0.802956  0.345771  1
  Al  Al36  1  0.561308  0.152886  0.372859  1
  Al  Al37  1  1.061308  0.455865  0.448691  1
  Al  Al38  1  1.061308  0.804759  0.473491  1
  Al  Al39  1  1.061308  0.105856  0.422376  1
  Al  Al40  1  1.061308  0.559841  0.473287  1
  Al  Al41  1  1.061308  0.860689  0.421548  1
  Al  Al42  1  1.061308  0.210591  0.448042  1
  Al  Al43  1  1.061308  0.351499  0.423674  1
  Al  Al44  1  1.061308  0.700828  0.449061  1
  Al  Al45  1  1.061308  0.002040  0.397854  1
  Al  Al46  1  0.561308  0.257132  0.397736  1
  Al  Al47  1  0.561308  0.605898  0.422335  1
  Al  Al48  1  0.561308  0.955769  0.448596  1
  Al  Al49  1  0.561308  0.361032  0.422141  1
  Al  Al50  1  0.561308  0.710407  0.447619  1
  Al  Al51  1  0.561308  0.059846  0.473265  1
  Al  Al52  1  0.561308  0.502028  0.397867  1
  Al  Al53  1  0.561308  0.851180  0.423054  1
  Al  Al54  1  0.561308  0.201035  0.449543  1
  Al  Al55  1  1.061308  0.504222  0.525654  1
  Al  Al56  1  1.061308  0.852988  0.550253  1
  Al  Al57  1  1.061308  0.154351  0.499393  1
  Al  Al58  1  1.061308  0.608092  0.550122  1
  Al  Al59  1  1.061308  0.909085  0.498446  1
  Al  Al60  1  1.061308  0.258940  0.524935  1
  Al  Al61  1  1.061308  0.399713  0.500370  1
  Al  Al62  1  1.061308  0.749087  0.525848  1
  Al  Al63  1  1.061308  0.050274  0.474724  1
  Al  Al64  1  0.561308  0.305361  0.474498  1
  Al  Al65  1  0.561308  0.654255  0.499298  1
  Al  Al66  1  0.561308  0.004263  0.525613  1
  Al  Al67  1  0.561308  0.409291  0.498928  1
  Al  Al68  1  0.561308  0.758620  0.524315  1
  Al  Al69  1  0.561308  0.108079  0.550135  1
  Al  Al70  1  0.561308  0.550279  0.474702  1
  Al  Al71  1  0.561308  0.899529  0.499947  1
  Al  Al72  1  0.561308  0.249431  0.526440  1
  Al  Al73  1  1.061308  0.552949  0.602828  1
  Al  Al74  1  1.061308  0.900760  0.626664  1
  Al  Al75  1  1.061308  0.202472  0.576273  1
  Al  Al76  1  1.061308  0.656660  0.627625  1
  Al  Al77  1  1.061308  0.957233  0.575130  1
  Al  Al78  1  1.061308  0.307163  0.602218  1
  Al  Al79  1  1.061308  0.447747  0.576941  1
  Al  Al80  1  1.061308  0.797423  0.602741  1
  Al  Al81  1  1.061308  0.098610  0.551711  1
  Al  Al82  1  0.561308  0.353517  0.551399  1
  Al  Al83  1  0.561308  0.702602  0.576164  1
  Al  Al84  1  0.561308  0.052667  0.602966  1
  Al  Al85  1  0.561308  0.457222  0.575330  1
  Al  Al86  1  0.561308  0.806791  0.601519  1
  Al  Al87  1  0.561308  0.156108  0.627565  1
  Al  Al88  1  0.561308  0.598642  0.551753  1
  Al  Al89  1  0.561308  0.947859  0.576708  1
  Al  Al90  1  0.561308  0.297770  0.603552  1
  Al  Al91  1  1.061308  0.600077  0.682553  1
  Al  Al92  1  1.061308  0.944428  0.706434  1
  Al  Al93  1  1.061308  0.251135  0.652074  1
  Al  Al94  1  1.061308  0.701975  0.703701  1
  Al  Al95  1  1.061308  0.005701  0.651683  1
  Al  Al96  1  1.061308  0.355358  0.679443  1
  Al  Al97  1  1.061308  0.496986  0.651869  1
  Al  Al98  1  1.061308  0.846402  0.680076  1
  Al  Al99  1  1.061308  0.146139  0.628239  1
  Al  Al100  1  0.561308  0.402160  0.628390  1
  Al  Al101  1  0.561308  0.750843  0.652210  1
  Al  Al102  1  0.561308  0.100451  0.682648  1
  Al  Al103  1  0.561308  0.506480  0.651131  1
  Al  Al104  1  0.561308  0.854480  0.678547  1
  Al  Al105  1  0.561308  0.202021  0.703765  1
  Al  Al106  1  0.561308  0.646538  0.628141  1
  Al  Al107  1  0.561308  -0.004368  0.652715  1
  Al  Al108  1  0.561308  0.348274  0.681128  1
  Ni  Ni109  1  0.561308  0.360826  0.294789  1
  Ni  Ni110  1  0.561308  0.708201  0.319435  1
  Ni  Ni111  1  0.561308  0.011849  0.267202  1
  Ni  Ni112  1  0.313718  0.284017  0.307298  1
  Ni  Ni113  1  0.314377  0.591755  0.256740  1
  Ni  Ni114  1  0.320950  0.934546  0.281686  1
  Ni  Ni115  1  0.300334  0.434994  0.281477  1
  Ni  Ni116  1  0.308636  0.783277  0.306590  1
  Ni  Ni117  1  0.306964  0.090052  0.256676  1
  Ni  Ni118  1  0.292309  0.336794  0.256670  1
  Ni  Ni119  1  0.296937  0.682295  0.280921  1
  Ni  Ni120  1  0.293822  0.032985  0.305967  1
  Ni  Ni121  1  0.830307  0.336794  0.256670  1
  Ni  Ni122  1  0.825679  0.682295  0.280921  1
  Ni  Ni123  1  0.828794  0.032985  0.305967  1
  Ni  Ni124  1  1.061308  0.170312  0.243708  1
  Ni  Ni125  1  1.061308  0.513339  0.267251  1
  Ni  Ni126  1  1.061308  0.860452  0.295013  1
  Ni  Ni127  1  0.822282  0.434994  0.281477  1
  Ni  Ni128  1  0.813980  0.783277  0.306590  1
  Ni  Ni129  1  0.815652  0.090052  0.256676  1
  Ni  Ni130  1  0.808898  0.284017  0.307298  1
  Ni  Ni131  1  0.808239  0.591755  0.256740  1
  Ni  Ni132  1  0.801665  0.934546  0.281686  1
  Ni  Ni133  1  0.794385  0.184272  0.283280  1
  Ni  Ni134  1  0.793755  0.532278  0.306183  1
  Ni  Ni135  1  0.793251  0.837011  0.256991  1
  Ni  Ni136  1  0.328230  0.184272  0.283280  1
  Ni  Ni137  1  0.328861  0.532278  0.306183  1
  Ni  Ni138  1  0.329364  0.837011  0.256991  1
  Ni  Ni139  1  0.561308  0.407284  0.372063  1
  Ni  Ni140  1  0.561308  0.756579  0.396577  1
  Ni  Ni141  1  0.561308  0.057135  0.344807  1
  Ni  Ni142  1  0.310589  0.332014  0.384436  1
  Ni  Ni143  1  0.310083  0.633558  0.333998  1
  Ni  Ni144  1  0.309917  -0.017365  0.358626  1
  Ni  Ni145  1  0.313140  0.482329  0.358650  1
  Ni  Ni146  1  0.311667  0.831790  0.383734  1
  Ni  Ni147  1  0.312168  0.133756  0.333849  1
  Ni  Ni148  1  0.299172  0.383526  0.333620  1
  Ni  Ni149  1  0.297708  0.732505  0.358067  1
  Ni  Ni150  1  0.297540  0.081640  0.383711  1
  Ni  Ni151  1  0.823444  0.383526  0.333620  1
  Ni  Ni152  1  0.824907  0.732505  0.358067  1
  Ni  Ni153  1  0.825076  0.081640  0.383711  1
  Ni  Ni154  1  1.061308  0.209437  0.321019  1
  Ni  Ni155  1  1.061308  0.556786  0.344970  1
  Ni  Ni156  1  1.061308  0.907552  0.371965  1
  Ni  Ni157  1  0.809476  0.482329  0.358650  1
  Ni  Ni158  1  0.810949  0.831790  0.383734  1
  Ni  Ni159  1  0.810447  0.133756  0.333849  1
  Ni  Ni160  1  0.812026  0.332014  0.384436  1
  Ni  Ni161  1  0.812532  0.633558  0.333998  1
  Ni  Ni162  1  0.812698  -0.017365  0.358626  1
  Ni  Ni163  1  0.798313  0.233128  0.359479  1
  Ni  Ni164  1  0.797536  0.581688  0.383739  1
  Ni  Ni165  1  0.799199  0.883809  0.333577  1
  Ni  Ni166  1  0.324302  0.233128  0.359479  1
  Ni  Ni167  1  0.325080  0.581688  0.383739  1
  Ni  Ni168  1  0.323417  0.883809  0.333577  1
  Ni  Ni169  1  0.561308  0.455913  0.448696  1
  Ni  Ni170  1  0.561308  0.804734  0.473478  1
  Ni  Ni171  1  0.561308  0.105872  0.422319  1
  Ni  Ni172  1  0.311455  0.380441  0.461278  1
  Ni  Ni173  1  0.311629  0.681630  0.410076  1
  Ni  Ni174  1  0.311486  0.030871  0.435542  1
  Ni  Ni175  1  0.310939  0.530929  0.435523  1
  Ni  Ni176  1  0.311303  0.880100  0.460766  1
  Ni  Ni177  1  0.311203  0.181686  0.410422  1
  Ni  Ni178  1  0.297120  0.431681  0.410280  1
  Ni  Ni179  1  0.297356  0.780664  0.435062  1
  Ni  Ni180  1  0.297299  0.130139  0.460899  1
  Ni  Ni181  1  0.825496  0.431681  0.410280  1
  Ni  Ni182  1  0.825260  0.780664  0.435062  1
  Ni  Ni183  1  0.825316  0.130139  0.460899  1
  Ni  Ni184  1  1.061308  0.257085  0.397853  1
  Ni  Ni185  1  1.061308  0.605973  0.422277  1
  Ni  Ni186  1  1.061308  0.955796  0.448633  1
  Ni  Ni187  1  0.811677  0.530929  0.435523  1
  Ni  Ni188  1  0.811313  0.880100  0.460766  1
  Ni  Ni189  1  0.811412  0.181686  0.410422  1
  Ni  Ni190  1  0.811161  0.380441  0.461278  1
  Ni  Ni191  1  0.810986  0.681630  0.410076  1
  Ni  Ni192  1  0.811130  0.030871  0.435542  1
  Ni  Ni193  1  0.797239  0.281205  0.436129  1
  Ni  Ni194  1  0.797395  0.630121  0.460826  1
  Ni  Ni195  1  0.797147  0.931639  0.410187  1
  Ni  Ni196  1  0.325377  0.281205  0.436129  1
  Ni  Ni197  1  0.325220  0.630121  0.460826  1
  Ni  Ni198  1  0.325469  0.931639  0.410187  1
  Ni  Ni199  1  0.561308  0.504147  0.525712  1
  Ni  Ni200  1  0.561308  0.853035  0.550136  1
  Ni  Ni201  1  0.561308  0.154323  0.499356  1
  Ni  Ni202  1  0.310986  0.428489  0.537913  1
  Ni  Ni203  1  0.311161  0.729678  0.486711  1
  Ni  Ni204  1  0.311130  0.079248  0.512447  1
  Ni  Ni205  1  0.311677  0.579190  0.512466  1
  Ni  Ni206  1  0.311412  0.928434  0.537567  1
  Ni  Ni207  1  0.311313  0.230020  0.487223  1
  Ni  Ni208  1  0.297395  0.479999  0.487163  1
  Ni  Ni209  1  0.297239  0.828914  0.511860  1
  Ni  Ni210  1  0.297147  0.178480  0.537802  1
  Ni  Ni211  1  0.825220  0.479999  0.487163  1
  Ni  Ni212  1  0.825377  0.828914  0.511860  1
  Ni  Ni213  1  0.825469  0.178480  0.537802  1
  Ni  Ni214  1  1.061308  0.305386  0.474511  1
  Ni  Ni215  1  1.061308  0.654207  0.499293  1
  Ni  Ni216  1  1.061308  0.004248  0.525670  1
  Ni  Ni217  1  0.810939  0.579190  0.512466  1
  Ni  Ni218  1  0.811203  0.928434  0.537567  1
  Ni  Ni219  1  0.811303  0.230020  0.487223  1
  Ni  Ni220  1  0.811629  0.428489  0.537913  1
  Ni  Ni221  1  0.811455  0.729678  0.486711  1
  Ni  Ni222  1  0.811486  0.079248  0.512447  1
  Ni  Ni223  1  0.797356  0.329455  0.512927  1
  Ni  Ni224  1  0.797120  0.678438  0.537708  1
  Ni  Ni225  1  0.797299  -0.020019  0.487090  1
  Ni  Ni226  1  0.325260  0.329455  0.512927  1
  Ni  Ni227  1  0.325496  0.678438  0.537708  1
  Ni  Ni228  1  0.325316  -0.020019  0.487090  1
  Ni  Ni229  1  0.561308  0.553333  0.603019  1
  Ni  Ni230  1  0.561308  0.900683  0.626970  1
  Ni  Ni231  1  0.561308  0.202567  0.576024  1
  Ni  Ni232  1  0.312532  0.476561  0.613991  1
  Ni  Ni233  1  0.312026  0.778106  0.563553  1
  Ni  Ni234  1  0.312698  0.127484  0.589363  1
  Ni  Ni235  1  0.309476  0.627790  0.589339  1
  Ni  Ni236  1  0.310447  0.976364  0.614140  1
  Ni  Ni237  1  0.310949  0.278329  0.564255  1
  Ni  Ni238  1  0.297536  0.528432  0.564250  1
  Ni  Ni239  1  0.298313  0.876992  0.588510  1
  Ni  Ni240  1  0.299199  0.226311  0.614412  1
  Ni  Ni241  1  0.825080  0.528432  0.564250  1
  Ni  Ni242  1  0.824302  0.876992  0.588510  1
  Ni  Ni243  1  0.823417  0.226311  0.614412  1
  Ni  Ni244  1  1.061308  0.353540  0.551411  1
  Ni  Ni245  1  1.061308  0.702835  0.575926  1
  Ni  Ni246  1  1.061308  0.052984  0.603182  1
  Ni  Ni247  1  0.813140  0.627790  0.589339  1
  Ni  Ni248  1  0.812168  0.976364  0.614140  1
  Ni  Ni249  1  0.811667  0.278329  0.564255  1
  Ni  Ni250  1  0.810083  0.476561  0.613991  1
  Ni  Ni251  1  0.810589  0.778106  0.563553  1
  Ni  Ni252  1  0.809917  0.127484  0.589363  1
  Ni  Ni253  1  0.797708  0.377615  0.589922  1
  Ni  Ni254  1  0.799172  0.726593  0.614369  1
  Ni  Ni255  1  0.797540  0.028480  0.564278  1
  Ni  Ni256  1  0.324907  0.377615  0.589922  1
  Ni  Ni257  1  0.323444  0.726593  0.614369  1
  Ni  Ni258  1  0.325076  0.028480  0.564278  1
  Ni  Ni259  1  0.561308  0.596780  0.680738  1
  Ni  Ni260  1  0.561308  0.939807  0.704281  1
  Ni  Ni261  1  0.561308  0.249668  0.652976  1
  Ni  Ni262  1  0.308239  0.518364  0.691249  1
  Ni  Ni263  1  0.308898  0.826103  0.640691  1
  Ni  Ni264  1  0.301665  0.175574  0.666303  1
  Ni  Ni265  1  0.322282  0.675125  0.666512  1
  Ni  Ni266  1  0.315652  0.020068  0.691313  1
  Ni  Ni267  1  0.313980  0.326843  0.641399  1
  Ni  Ni268  1  0.293755  0.577842  0.641806  1
  Ni  Ni269  1  0.294385  0.925847  0.664709  1
  Ni  Ni270  1  0.293251  0.273108  0.690998  1
  Ni  Ni271  1  0.828861  0.577842  0.641806  1
  Ni  Ni272  1  0.828230  0.925847  0.664709  1
  Ni  Ni273  1  0.829364  0.273108  0.690998  1
  Ni  Ni274  1  1.061308  0.401919  0.628554  1
  Ni  Ni275  1  1.061308  0.749293  0.653200  1
  Ni  Ni276  1  1.061308  0.098271  0.680787  1
  Ni  Ni277  1  0.800334  0.675125  0.666512  1
  Ni  Ni278  1  0.806964  0.020068  0.691313  1
  Ni  Ni279  1  0.808636  0.326843  0.641399  1
  Ni  Ni280  1  0.814377  0.518364  0.691249  1
  Ni  Ni281  1  0.813718  0.826103  0.640691  1
  Ni  Ni282  1  0.820950  0.175574  0.666303  1
  Ni  Ni283  1  0.796937  0.427824  0.667067  1
  Ni  Ni284  1  0.792309  0.773325  0.691319  1
  Ni  Ni285  1  0.793822  0.077134  0.642022  1
  Ni  Ni286  1  0.325679  0.427824  0.667067  1
  Ni  Ni287  1  0.330307  0.773325  0.691319  1
  Ni  Ni288  1  0.328794  0.077134  0.642022  1
