# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.45568542
_cell_length_b   9.83976701
_cell_length_c   51.20849442
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.82738501
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   8039.3067923
_cell_formula_units_Z   40
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  0.438306  0.259053  0.290202  1
  Al  Al2  1  0.932658  0.735329  0.300385  1
  Al  Al3  1  0.901018  0.098099  0.340201  1
  Al  Al4  1  0.391679  0.555662  0.347930  1
  Al  Al5  1  0.543746  0.366749  0.334959  1
  Al  Al6  1  0.043502  0.872860  0.334157  1
  Al  Al7  1  0.092071  0.541445  0.288123  1
  Al  Al8  1  0.595428  0.043934  0.287897  1
  Al  Al9  1  0.288877  0.466167  0.306543  1
  Al  Al10  1  0.787004  0.965772  0.307304  1
  Al  Al11  1  0.746629  0.295031  0.352886  1
  Al  Al12  1  0.247545  0.789608  0.353026  1
  Al  Al13  1  0.172309  0.178812  0.319998  1
  Al  Al14  1  0.661882  0.649989  0.326409  1
  Al  Al15  1  0.709566  0.326466  0.274527  1
  Al  Al16  1  0.207878  0.809438  0.280296  1
  Al  Al17  1  0.275397  0.278875  0.355380  1
  Al  Al18  1  0.773148  0.784177  0.355127  1
  Al  Al19  1  0.814875  0.450990  0.310575  1
  Al  Al20  1  0.316009  0.951485  0.310593  1
  Al  Al21  1  0.562119  0.557047  0.286614  1
  Al  Al22  1  0.061726  0.054702  0.287512  1
  Al  Al23  1  0.022639  0.378305  0.332833  1
  Al  Al24  1  0.519729  0.876486  0.333017  1
  Al  Al25  1  0.358147  0.920703  0.383540  1
  Al  Al26  1  0.846814  0.386047  0.392955  1
  Al  Al27  1  0.811452  0.746951  0.428719  1
  Al  Al28  1  0.302270  0.206285  0.438892  1
  Al  Al29  1  0.456410  0.014179  0.424554  1
  Al  Al30  1  0.955609  0.517032  0.423732  1
  Al  Al31  1  0.999549  0.191275  0.378918  1
  Al  Al32  1  0.501507  0.693064  0.377917  1
  Al  Al33  1  0.204023  0.112175  0.399195  1
  Al  Al34  1  0.703009  0.614086  0.398722  1
  Al  Al35  1  0.656690  0.939876  0.443642  1
  Al  Al36  1  0.157525  0.436227  0.444185  1
  Al  Al37  1  0.084926  0.833509  0.405757  1
  Al  Al38  1  0.574095  0.296411  0.416471  1
  Al  Al39  1  0.627175  0.016591  0.359922  1
  Al  Al40  1  0.120021  0.475189  0.369803  1
  Al  Al41  1  0.184097  0.924736  0.446951  1
  Al  Al42  1  0.683273  0.428607  0.446585  1
  Al  Al43  1  0.727608  0.102899  0.401259  1
  Al  Al44  1  0.228728  0.603771  0.400167  1
  Al  Al45  1  0.473005  0.206537  0.373906  1
  Al  Al46  1  0.974730  0.703008  0.374584  1
  Al  Al47  1  0.929726  0.027108  0.421296  1
  Al  Al48  1  0.429787  0.525175  0.422082  1
  Al  Al49  1  0.266636  0.568824  0.474414  1
  Al  Al50  1  0.756714  0.029779  0.484492  1
  Al  Al51  1  0.721702  0.392084  0.520220  1
  Al  Al52  1  0.211976  0.852667  0.530363  1
  Al  Al53  1  0.366174  0.659887  0.515708  1
  Al  Al54  1  0.865829  0.162710  0.514607  1
  Al  Al55  1  0.911379  0.837400  0.469313  1
  Al  Al56  1  0.410769  0.339076  0.468946  1
  Al  Al57  1  0.112315  0.761780  0.489105  1
  Al  Al58  1  0.612621  0.259354  0.490095  1
  Al  Al59  1  0.567065  0.584518  0.535414  1
  Al  Al60  1  0.067765  0.082892  0.535771  1
  Al  Al61  1  0.993940  0.481032  0.497114  1
  Al  Al62  1  0.484534  0.941120  0.507552  1
  Al  Al63  1  0.539103  0.657946  0.452160  1
  Al  Al64  1  0.029370  0.117412  0.461819  1
  Al  Al65  1  0.093256  0.572802  0.537748  1
  Al  Al66  1  0.593486  0.073706  0.537536  1
  Al  Al67  1  0.639099  0.748438  0.492676  1
  Al  Al68  1  0.138444  0.250659  0.491966  1
  Al  Al69  1  0.384986  0.849664  0.466822  1
  Al  Al70  1  0.885013  0.348218  0.467239  1
  Al  Al71  1  0.839297  0.673802  0.512019  1
  Al  Al72  1  0.340067  0.171105  0.512788  1
  Al  Al73  1  0.176112  0.215479  0.565754  1
  Al  Al74  1  0.666989  0.674820  0.575925  1
  Al  Al75  1  0.631872  0.035000  0.612106  1
  Al  Al76  1  0.118938  0.503358  0.620606  1
  Al  Al77  1  0.273156  0.311329  0.605219  1
  Al  Al78  1  0.775380  0.808003  0.606063  1
  Al  Al79  1  0.821976  0.481823  0.561106  1
  Al  Al80  1  0.321115  0.985134  0.560525  1
  Al  Al81  1  0.021611  0.407833  0.580025  1
  Al  Al82  1  0.522840  0.904192  0.580905  1
  Al  Al83  1  0.480476  0.230183  0.626147  1
  Al  Al84  1  0.977665  0.728405  0.626983  1
  Al  Al85  1  0.904295  0.125388  0.588504  1
  Al  Al86  1  0.393648  0.587459  0.599079  1
  Al  Al87  1  0.449053  0.304146  0.543207  1
  Al  Al88  1  0.938949  0.764917  0.552560  1
  Al  Al89  1  0.005363  0.215374  0.630864  1
  Al  Al90  1  0.503328  0.718771  0.630058  1
  Al  Al91  1  0.548911  0.394124  0.583502  1
  Al  Al92  1  0.048576  0.897198  0.582653  1
  Al  Al93  1  0.294593  0.496845  0.557885  1
  Al  Al94  1  0.795115  0.993390  0.558311  1
  Al  Al95  1  0.751438  0.319089  0.603365  1
  Al  Al96  1  0.249803  0.818591  0.604615  1
  Al  Al97  1  0.087256  0.862326  0.656883  1
  Al  Al98  1  0.580243  0.322540  0.664436  1
  Al  Al99  1  0.542698  0.680456  0.703842  1
  Al  Al100  1  0.042602  0.162544  0.713428  1
  Al  Al101  1  0.189120  0.953270  0.697488  1
  Al  Al102  1  0.689194  0.451000  0.696079  1
  Al  Al103  1  0.734147  0.123053  0.652552  1
  Al  Al104  1  0.231948  0.632102  0.651575  1
  Al  Al105  1  0.933095  0.050821  0.669834  1
  Al  Al106  1  0.435055  0.551617  0.669885  1
  Al  Al107  1  0.385842  0.873971  0.716126  1
  Al  Al108  1  0.885574  0.378163  0.715653  1
  Al  Al109  1  0.818745  0.778618  0.676637  1
  Al  Al110  1  0.309425  0.258318  0.681675  1
  Al  Al111  1  0.357635  0.946100  0.635587  1
  Al  Al112  1  0.851188  0.407520  0.645440  1
  Al  Al113  1  0.915424  0.862286  0.717800  1
  Al  Al114  1  0.410864  0.358074  0.717975  1
  Al  Al115  1  0.456209  0.047447  0.670819  1
  Al  Al116  1  0.959759  0.543531  0.671143  1
  Al  Al117  1  0.203887  0.144506  0.648822  1
  Al  Al118  1  0.706058  0.637077  0.649174  1
  Al  Al119  1  0.663580  0.962269  0.694956  1
  Al  Al120  1  0.165638  0.464418  0.695407  1
  Ni  Ni121  1  0.394640  0.066956  0.343929  1
  Ni  Ni122  1  0.899984  0.588557  0.339221  1
  Ni  Ni123  1  0.940041  0.245787  0.304100  1
  Ni  Ni124  1  0.443520  0.761822  0.299180  1
  Ni  Ni125  1  0.251943  0.037332  0.353361  1
  Ni  Ni126  1  0.772248  0.532634  0.355775  1
  Ni  Ni127  1  0.799318  0.209502  0.309142  1
  Ni  Ni128  1  0.317364  0.698994  0.311733  1
  Ni  Ni129  1  0.575354  0.304112  0.291108  1
  Ni  Ni130  1  0.063466  0.803221  0.290232  1
  Ni  Ni131  1  0.043253  0.122431  0.332967  1
  Ni  Ni132  1  0.519986  0.620873  0.331212  1
  Ni  Ni133  1  0.437139  0.503552  0.303487  1
  Ni  Ni134  1  0.935869  0.987276  0.299917  1
  Ni  Ni135  1  0.892552  0.340236  0.347595  1
  Ni  Ni136  1  0.395332  0.799557  0.343021  1
  Ni  Ni137  1  0.400077  0.317844  0.334510  1
  Ni  Ni138  1  0.896294  0.855430  0.340734  1
  Ni  Ni139  1  0.949209  0.487290  0.296215  1
  Ni  Ni140  1  0.447471  0.011417  0.298306  1
  Ni  Ni141  1  0.204323  0.318592  0.283931  1
  Ni  Ni142  1  0.706755  0.828002  0.278762  1
  Ni  Ni143  1  0.666163  0.164303  0.321761  1
  Ni  Ni144  1  0.170517  0.678072  0.318164  1
  Ni  Ni145  1  0.521574  0.131368  0.327196  1
  Ni  Ni146  1  0.041947  0.622579  0.331333  1
  Ni  Ni147  1  0.069324  0.298353  0.289407  1
  Ni  Ni148  1  0.580120  0.795773  0.291353  1
  Ni  Ni149  1  0.314415  0.199375  0.309042  1
  Ni  Ni150  1  0.791792  0.704684  0.309591  1
  Ni  Ni151  1  0.770833  0.037989  0.353791  1
  Ni  Ni152  1  0.248300  0.536833  0.352366  1
  Ni  Ni153  1  0.163857  0.423256  0.324989  1
  Ni  Ni154  1  0.666247  0.889181  0.320900  1
  Ni  Ni155  1  0.702837  0.593970  0.282837  1
  Ni  Ni156  1  0.205626  0.075603  0.279699  1
  Ni  Ni157  1  0.128356  0.233300  0.363304  1
  Ni  Ni158  1  0.625341  0.772185  0.366578  1
  Ni  Ni159  1  0.668899  0.412553  0.316067  1
  Ni  Ni160  1  0.168227  0.936586  0.319170  1
  Ni  Ni161  1  0.304562  0.714625  0.436389  1
  Ni  Ni162  1  0.808908  0.238198  0.431581  1
  Ni  Ni163  1  0.848346  0.893689  0.390196  1
  Ni  Ni164  1  0.353480  0.413791  0.385929  1
  Ni  Ni165  1  0.160124  0.686691  0.442921  1
  Ni  Ni166  1  0.681305  0.177346  0.447479  1
  Ni  Ni167  1  0.704134  0.866845  0.397630  1
  Ni  Ni168  1  0.225667  0.352288  0.401380  1
  Ni  Ni169  1  0.499570  0.949066  0.378571  1
  Ni  Ni170  1  0.975972  0.450209  0.377109  1
  Ni  Ni171  1  0.955174  0.769734  0.422309  1
  Ni  Ni172  1  0.431012  0.271741  0.421295  1
  Ni  Ni173  1  0.348001  0.161302  0.393515  1
  Ni  Ni174  1  0.851358  0.629409  0.387890  1
  Ni  Ni175  1  0.801946  0.986780  0.439169  1
  Ni  Ni176  1  0.305448  0.450058  0.433505  1
  Ni  Ni177  1  0.312065  0.965175  0.428845  1
  Ni  Ni178  1  0.807558  0.502505  0.434061  1
  Ni  Ni179  1  0.853817  0.145995  0.384135  1
  Ni  Ni180  1  0.353623  0.677495  0.388410  1
  Ni  Ni181  1  0.122373  0.981625  0.368172  1
  Ni  Ni182  1  0.626372  0.502543  0.363487  1
  Ni  Ni183  1  0.576921  0.804480  0.413790  1
  Ni  Ni184  1  0.081744  0.325642  0.408906  1
  Ni  Ni185  1  0.432912  0.775236  0.420640  1
  Ni  Ni186  1  0.953051  0.265867  0.424625  1
  Ni  Ni187  1  0.975694  0.952764  0.375858  1
  Ni  Ni188  1  0.498067  0.443176  0.380017  1
  Ni  Ni189  1  0.228852  0.856081  0.400334  1
  Ni  Ni190  1  0.703743  0.361009  0.399480  1
  Ni  Ni191  1  0.682669  0.681400  0.446060  1
  Ni  Ni192  1  0.158430  0.182910  0.444989  1
  Ni  Ni193  1  0.074802  0.073934  0.416514  1
  Ni  Ni194  1  0.578526  0.540547  0.411379  1
  Ni  Ni195  1  0.620644  0.252517  0.371532  1
  Ni  Ni196  1  0.124240  0.714991  0.364832  1
  Ni  Ni197  1  0.038999  0.877380  0.450977  1
  Ni  Ni198  1  0.535058  0.414450  0.457273  1
  Ni  Ni199  1  0.582574  0.058087  0.405528  1
  Ni  Ni200  1  0.079710  0.590228  0.410824  1
  Ni  Ni201  1  0.214107  0.362044  0.527464  1
  Ni  Ni202  1  0.719152  0.883481  0.522824  1
  Ni  Ni203  1  0.759297  0.538628  0.481951  1
  Ni  Ni204  1  0.264366  0.059907  0.477270  1
  Ni  Ni205  1  0.069670  0.334454  0.534290  1
  Ni  Ni206  1  0.591864  0.822172  0.538598  1
  Ni  Ni207  1  0.614483  0.510721  0.489251  1
  Ni  Ni208  1  0.136440  0.999452  0.493128  1
  Ni  Ni209  1  0.410162  0.592300  0.469274  1
  Ni  Ni210  1  0.885438  0.095311  0.467504  1
  Ni  Ni211  1  0.865135  0.415610  0.514441  1
  Ni  Ni212  1  0.340993  0.917800  0.513246  1
  Ni  Ni213  1  0.257615  0.808486  0.485093  1
  Ni  Ni214  1  0.760801  0.273578  0.479472  1
  Ni  Ni215  1  0.712616  0.631343  0.530677  1
  Ni  Ni216  1  0.216083  0.096376  0.525070  1
  Ni  Ni217  1  0.221068  0.612918  0.519684  1
  Ni  Ni218  1  0.717751  0.148147  0.525279  1
  Ni  Ni219  1  0.765899  0.790515  0.473997  1
  Ni  Ni220  1  0.262548  0.325128  0.479647  1
  Ni  Ni221  1  0.031789  0.627230  0.458821  1
  Ni  Ni222  1  0.536452  0.149415  0.454480  1
  Ni  Ni223  1  0.486818  0.449650  0.504938  1
  Ni  Ni224  1  0.991577  0.972191  0.499872  1
  Ni  Ni225  1  0.342300  0.421973  0.511681  1
  Ni  Ni226  1  0.863768  0.911665  0.515520  1
  Ni  Ni227  1  0.886645  0.599833  0.466073  1
  Ni  Ni228  1  0.408738  0.087856  0.470416  1
  Ni  Ni229  1  0.137611  0.503875  0.491428  1
  Ni  Ni230  1  0.613258  0.006559  0.490308  1
  Ni  Ni231  1  0.592950  0.326506  0.537223  1
  Ni  Ni232  1  0.068200  0.829907  0.535527  1
  Ni  Ni233  1  0.984693  0.720998  0.507333  1
  Ni  Ni234  1  0.488142  0.185512  0.502293  1
  Ni  Ni235  1  0.530149  0.897468  0.462403  1
  Ni  Ni236  1  0.033501  0.361178  0.456588  1
  Ni  Ni237  1  0.948205  0.525243  0.542239  1
  Ni  Ni238  1  0.445113  0.060380  0.548103  1
  Ni  Ni239  1  0.493548  0.701260  0.497424  1
  Ni  Ni240  1  0.990210  0.236930  0.502556  1
  Ni  Ni241  1  0.125190  0.008348  0.618970  1
  Ni  Ni242  1  0.630158  0.527621  0.614374  1
  Ni  Ni243  1  0.669648  0.183491  0.573207  1
  Ni  Ni244  1  0.173958  0.707309  0.568348  1
  Ni  Ni245  1  0.981273  0.978681  0.624884  1
  Ni  Ni246  1  0.503259  0.467622  0.628868  1
  Ni  Ni247  1  0.525802  0.155076  0.580300  1
  Ni  Ni248  1  0.045060  0.647654  0.583823  1
  Ni  Ni249  1  0.320037  0.238671  0.559744  1
  Ni  Ni250  1  0.795641  0.740495  0.558689  1
  Ni  Ni251  1  0.774565  0.061670  0.605494  1
  Ni  Ni252  1  0.249647  0.565954  0.604482  1
  Ni  Ni253  1  0.166009  0.457158  0.575574  1
  Ni  Ni254  1  0.670697  0.919622  0.570801  1
  Ni  Ni255  1  0.626062  0.274370  0.620535  1
  Ni  Ni256  1  0.125124  0.744938  0.616134  1
  Ni  Ni257  1  0.129885  0.261518  0.611015  1
  Ni  Ni258  1  0.626833  0.791727  0.616731  1
  Ni  Ni259  1  0.676524  0.434896  0.565513  1
  Ni  Ni260  1  0.173038  0.971777  0.571220  1
  Ni  Ni261  1  0.941970  0.272399  0.550260  1
  Ni  Ni262  1  0.446688  0.794430  0.545875  1
  Ni  Ni263  1  0.397005  0.095748  0.595654  1
  Ni  Ni264  1  0.901733  0.617708  0.590922  1
  Ni  Ni265  1  0.253545  0.069840  0.603301  1
  Ni  Ni266  1  0.774383  0.554960  0.606954  1
  Ni  Ni267  1  0.797380  0.244340  0.557212  1
  Ni  Ni268  1  0.318540  0.734840  0.561951  1
  Ni  Ni269  1  0.047316  0.150157  0.583401  1
  Ni  Ni270  1  0.523107  0.651849  0.582413  1
  Ni  Ni271  1  0.502267  0.971269  0.627332  1
  Ni  Ni272  1  0.979278  0.471586  0.626024  1
  Ni  Ni273  1  0.895684  0.363997  0.599511  1
  Ni  Ni274  1  0.398509  0.832057  0.594260  1
  Ni  Ni275  1  0.439581  0.544297  0.553810  1
  Ni  Ni276  1  0.943239  0.008342  0.547535  1
  Ni  Ni277  1  0.858008  0.171825  0.633496  1
  Ni  Ni278  1  0.353796  0.707362  0.639540  1
  Ni  Ni279  1  0.403689  0.346659  0.588766  1
  Ni  Ni280  1  0.900193  0.881216  0.593585  1
  Ni  Ni281  1  0.037388  0.657953  0.705531  1
  Ni  Ni282  1  0.536936  0.171540  0.700808  1
  Ni  Ni283  1  0.578432  0.831567  0.665380  1
  Ni  Ni284  1  0.085436  0.351719  0.661642  1
  Ni  Ni285  1  0.903111  0.621104  0.712302  1
  Ni  Ni286  1  0.401917  0.115814  0.713133  1
  Ni  Ni287  1  0.436028  0.804529  0.673057  1
  Ni  Ni288  1  0.957454  0.287346  0.676989  1
  Ni  Ni289  1  0.229911  0.887670  0.652390  1
  Ni  Ni290  1  0.709093  0.382446  0.650222  1
  Ni  Ni291  1  0.684696  0.708886  0.694456  1
  Ni  Ni292  1  0.172074  0.212893  0.695085  1
  Ni  Ni293  1  0.079446  0.100754  0.669480  1
  Ni  Ni294  1  0.582819  0.565979  0.663323  1
  Ni  Ni295  1  0.525265  0.929999  0.707273  1
  Ni  Ni296  1  0.032023  0.409873  0.705937  1
  Ni  Ni297  1  0.041244  0.916846  0.701127  1
  Ni  Ni298  1  0.535635  0.429348  0.704283  1
  Ni  Ni299  1  0.588220  0.080322  0.657853  1
  Ni  Ni300  1  0.086163  0.615617  0.662300  1
  Ni  Ni301  1  0.853407  0.920141  0.640482  1
  Ni  Ni302  1  0.355520  0.437930  0.637233  1
  Ni  Ni303  1  0.308393  0.749620  0.685627  1
  Ni  Ni304  1  0.812985  0.258926  0.682125  1
  Ni  Ni305  1  0.164152  0.718634  0.692904  1
  Ni  Ni306  1  0.679328  0.205486  0.696052  1
  Ni  Ni307  1  0.704982  0.888428  0.648943  1
  Ni  Ni308  1  0.222120  0.389427  0.650520  1
  Ni  Ni309  1  0.961389  0.796327  0.673701  1
  Ni  Ni310  1  0.439774  0.304517  0.672220  1
  Ni  Ni311  1  0.409406  0.612104  0.713758  1
  Ni  Ni312  1  0.904199  0.119188  0.713235  1
  Ni  Ni313  1  0.805081  0.016441  0.692377  1
  Ni  Ni314  1  0.308713  0.504807  0.688626  1
  Ni  Ni315  1  0.351104  0.186796  0.639773  1
  Ni  Ni316  1  0.853961  0.648674  0.637730  1
  Ni  Ni317  1  0.779605  0.788968  0.719978  1
  Ni  Ni318  1  0.271424  0.275298  0.724411  1
  Ni  Ni319  1  0.313500  0.011799  0.680824  1
  Ni  Ni320  1  0.810200  0.541127  0.684658  1
