# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   23.44754429
_cell_length_b   7.28253654
_cell_length_c   48.14592129
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.75748031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   8002.67119394
_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  0.407512  0.757543  0.298931  1
  Al  Al2  1  0.736362  0.522913  0.323233  1
  Al  Al3  1  0.081866  0.963124  0.275807  1
  Al  Al4  1  0.512622  0.549907  0.273559  1
  Al  Al5  1  0.834004  0.318406  0.296058  1
  Al  Al6  1  0.161828  0.078407  0.318926  1
  Al  Al7  1  0.309215  0.973752  0.328207  1
  Al  Al8  1  0.651575  0.460221  0.282101  1
  Al  Al9  1  0.984161  0.208372  0.305492  1
  Al  Al10  1  0.235628  0.522788  0.323274  1
  Al  Al11  1  0.582429  0.957728  0.276274  1
  Al  Al12  1  0.907039  0.770495  0.296836  1
  Al  Al13  1  0.333970  0.318545  0.295783  1
  Al  Al14  1  0.661551  0.078660  0.319050  1
  Al  Al15  1  0.013098  0.549407  0.273191  1
  Al  Al16  1  0.484203  0.207282  0.305254  1
  Al  Al17  1  0.808834  0.974678  0.327887  1
  Al  Al18  1  0.152356  0.458001  0.282394  1
  Al  Al19  1  0.389034  0.046528  0.367180  1
  Al  Al20  1  0.715949  0.807456  0.389827  1
  Al  Al21  1  0.061863  0.286872  0.345064  1
  Al  Al22  1  0.487733  0.840080  0.340025  1
  Al  Al23  1  0.815538  0.602011  0.361797  1
  Al  Al24  1  0.141548  0.362965  0.384181  1
  Al  Al25  1  0.290175  0.254153  0.394382  1
  Al  Al26  1  0.636368  0.732444  0.350389  1
  Al  Al27  1  0.963014  0.494777  0.371551  1
  Al  Al28  1  0.215822  0.807960  0.389739  1
  Al  Al29  1  0.562473  0.285099  0.345393  1
  Al  Al30  1  0.888985  0.045097  0.367542  1
  Al  Al31  1  0.315240  0.601332  0.362036  1
  Al  Al32  1  0.641511  0.363690  0.383990  1
  Al  Al33  1  0.988092  0.839483  0.340537  1
  Al  Al34  1  0.463203  0.493313  0.371908  1
  Al  Al35  1  0.790114  0.254485  0.394419  1
  Al  Al36  1  0.136597  0.732269  0.350292  1
  Al  Al37  1  0.369300  0.331014  0.433806  1
  Al  Al38  1  0.695828  0.092782  0.456026  1
  Al  Al39  1  0.042514  0.569709  0.411594  1
  Al  Al40  1  0.468117  0.124033  0.406484  1
  Al  Al41  1  0.794812  0.885777  0.428731  1
  Al  Al42  1  0.121524  0.646901  0.451059  1
  Al  Al43  1  0.270264  0.538048  0.461162  1
  Al  Al44  1  0.616715  0.015605  0.416881  1
  Al  Al45  1  0.943445  0.776844  0.438910  1
  Al  Al46  1  0.195914  0.092510  0.456094  1
  Al  Al47  1  0.542404  0.570177  0.411472  1
  Al  Al48  1  0.869353  0.331062  0.433791  1
  Al  Al49  1  0.294886  0.885407  0.428844  1
  Al  Al50  1  0.621498  0.646869  0.451036  1
  Al  Al51  1  0.968151  0.124285  0.406526  1
  Al  Al52  1  0.443409  0.776761  0.438883  1
  Al  Al53  1  0.770338  0.538033  0.461102  1
  Al  Al54  1  0.116682  0.015989  0.416775  1
  Al  Al55  1  0.349298  0.614484  0.500650  1
  Al  Al56  1  0.675991  0.376263  0.522715  1
  Al  Al57  1  0.022549  0.853617  0.478310  1
  Al  Al58  1  0.448298  0.407874  0.473221  1
  Al  Al59  1  0.774945  0.169247  0.495458  1
  Al  Al60  1  0.101641  0.930391  0.517753  1
  Al  Al61  1  0.250352  0.821536  0.527989  1
  Al  Al62  1  0.596894  0.299460  0.483295  1
  Al  Al63  1  0.923551  0.060565  0.505562  1
  Al  Al64  1  0.175934  0.376185  0.522744  1
  Al  Al65  1  0.522488  0.853569  0.478312  1
  Al  Al66  1  0.849296  0.614938  0.500483  1
  Al  Al67  1  0.274965  0.169267  0.495451  1
  Al  Al68  1  0.601628  0.930277  0.517802  1
  Al  Al69  1  0.948253  0.408132  0.473105  1
  Al  Al70  1  0.423570  0.060586  0.505546  1
  Al  Al71  1  0.750296  0.821796  0.527873  1
  Al  Al72  1  0.096886  0.299341  0.483361  1
  Al  Al73  1  0.329292  0.898510  0.567263  1
  Al  Al74  1  0.656192  0.659951  0.589491  1
  Al  Al75  1  0.002672  0.137134  0.545043  1
  Al  Al76  1  0.428213  0.691580  0.539993  1
  Al  Al77  1  0.755058  0.453050  0.562146  1
  Al  Al78  1  0.081776  0.213665  0.584567  1
  Al  Al79  1  0.230389  0.105326  0.594538  1
  Al  Al80  1  0.577006  0.583058  0.549919  1
  Al  Al81  1  0.903735  0.344250  0.572269  1
  Al  Al82  1  0.156125  0.660374  0.589397  1
  Al  Al83  1  0.502755  0.136867  0.545097  1
  Al  Al84  1  0.829327  0.898550  0.567258  1
  Al  Al85  1  0.255019  0.452912  0.562158  1
  Al  Al86  1  0.581753  0.214025  0.584440  1
  Al  Al87  1  0.928286  0.691585  0.539945  1
  Al  Al88  1  0.403801  0.343828  0.572391  1
  Al  Al89  1  0.730418  0.105595  0.594570  1
  Al  Al90  1  0.076999  0.583034  0.549912  1
  Al  Al91  1  0.309339  0.185539  0.633350  1
  Al  Al92  1  0.636150  0.944348  0.655647  1
  Al  Al93  1  0.982900  0.420972  0.611582  1
  Al  Al94  1  0.408370  0.975635  0.606449  1
  Al  Al95  1  0.735528  0.736291  0.629119  1
  Al  Al96  1  0.062077  0.498380  0.650283  1
  Al  Al97  1  0.210289  0.390000  0.660690  1
  Al  Al98  1  0.557108  0.866008  0.617025  1
  Al  Al99  1  0.883387  0.627561  0.639320  1
  Al  Al100  1  0.136752  0.942735  0.655936  1
  Al  Al101  1  0.482764  0.421353  0.611499  1
  Al  Al102  1  0.809289  0.184343  0.633666  1
  Al  Al103  1  0.235751  0.734825  0.629468  1
  Al  Al104  1  0.562301  0.497983  0.650197  1
  Al  Al105  1  0.908284  0.976078  0.606492  1
  Al  Al106  1  0.383112  0.626708  0.639531  1
  Al  Al107  1  0.710632  0.389505  0.661038  1
  Al  Al108  1  0.057078  0.866744  0.616862  1
  Al  Al109  1  0.290290  0.458917  0.704132  1
  Al  Al110  1  0.613472  0.270460  0.724367  1
  Al  Al111  1  0.961730  0.709180  0.677183  1
  Al  Al112  1  0.389782  0.256197  0.673110  1
  Al  Al113  1  0.714970  0.022185  0.695668  1
  Al  Al114  1  0.045243  0.782456  0.718441  1
  Al  Al115  1  0.186288  0.678843  0.727893  1
  Al  Al116  1  0.537230  0.149202  0.683691  1
  Al  Al117  1  0.863662  0.911341  0.705062  1
  Al  Al118  1  0.113352  0.264003  0.724851  1
  Al  Al119  1  0.461149  0.708636  0.677241  1
  Al  Al120  1  0.790044  0.471591  0.702047  1
  Al  Al121  1  0.214942  0.021427  0.695433  1
  Al  Al122  1  0.546095  0.779454  0.718707  1
  Al  Al123  1  0.889383  0.257383  0.672790  1
  Al  Al124  1  0.363926  0.910917  0.704717  1
  Al  Al125  1  0.686560  0.677969  0.727524  1
  Al  Al126  1  0.036870  0.149567  0.683894  1
  Ni  Ni127  1  0.399181  0.405096  0.333598  1
  Ni  Ni128  1  0.744692  0.882522  0.290982  1
  Ni  Ni129  1  0.073272  0.644426  0.311868  1
  Ni  Ni130  1  0.331402  0.006298  0.278930  1
  Ni  Ni131  1  0.660611  0.762405  0.301728  1
  Ni  Ni132  1  0.984987  0.529578  0.321861  1
  Ni  Ni133  1  0.490954  0.885572  0.289745  1
  Ni  Ni134  1  0.823259  0.645934  0.310752  1
  Ni  Ni135  1  0.166934  0.115800  0.269145  1
  Ni  Ni136  1  0.403282  0.066766  0.318551  1
  Ni  Ni137  1  0.749361  0.550063  0.274792  1
  Ni  Ni138  1  0.077996  0.291644  0.296799  1
  Ni  Ni139  1  0.414877  0.450913  0.282077  1
  Ni  Ni140  1  0.739128  0.226123  0.302479  1
  Ni  Ni141  1  0.068081  0.980868  0.326291  1
  Ni  Ni142  1  0.246068  0.883925  0.290785  1
  Ni  Ni143  1  0.571809  0.649419  0.311354  1
  Ni  Ni144  1  0.918051  0.119063  0.269443  1
  Ni  Ni145  1  0.485854  0.524574  0.322538  1
  Ni  Ni146  1  0.827402  0.009877  0.278195  1
  Ni  Ni147  1  0.160673  0.765229  0.301209  1
  Ni  Ni148  1  0.322388  0.644357  0.311257  1
  Ni  Ni149  1  0.666264  0.116798  0.269160  1
  Ni  Ni150  1  0.994394  0.877613  0.291240  1
  Ni  Ni151  1  0.249075  0.552039  0.274880  1
  Ni  Ni152  1  0.578056  0.291951  0.297016  1
  Ni  Ni153  1  0.903289  0.066064  0.319475  1
  Ni  Ni154  1  0.239830  0.224645  0.302594  1
  Ni  Ni155  1  0.567886  0.980984  0.326404  1
  Ni  Ni156  1  0.914722  0.456836  0.282153  1
  Ni  Ni157  1  0.379156  0.689416  0.400313  1
  Ni  Ni158  1  0.725505  0.170575  0.355551  1
  Ni  Ni159  1  0.052499  0.928591  0.378257  1
  Ni  Ni160  1  0.312623  0.286394  0.345021  1
  Ni  Ni161  1  0.639302  0.046016  0.367720  1
  Ni  Ni162  1  0.965937  0.807781  0.389537  1
  Ni  Ni163  1  0.475626  0.166403  0.355882  1
  Ni  Ni164  1  0.801969  0.929114  0.378119  1
  Ni  Ni165  1  0.148959  0.405573  0.333597  1
  Ni  Ni166  1  0.383810  0.352361  0.385198  1
  Ni  Ni167  1  0.730592  0.828414  0.341654  1
  Ni  Ni168  1  0.057101  0.590936  0.363056  1
  Ni  Ni169  1  0.394439  0.742419  0.348372  1
  Ni  Ni170  1  0.721414  0.503912  0.371354  1
  Ni  Ni171  1  0.047641  0.265087  0.393429  1
  Ni  Ni172  1  0.225932  0.169079  0.355719  1
  Ni  Ni173  1  0.552242  0.928533  0.378213  1
  Ni  Ni174  1  0.899199  0.404969  0.333714  1
  Ni  Ni175  1  0.465702  0.808242  0.389353  1
  Ni  Ni176  1  0.812774  0.285222  0.345171  1
  Ni  Ni177  1  0.139168  0.047284  0.367512  1
  Ni  Ni178  1  0.302265  0.928019  0.378326  1
  Ni  Ni179  1  0.648618  0.409073  0.333202  1
  Ni  Ni180  1  0.975555  0.165917  0.355984  1
  Ni  Ni181  1  0.230621  0.828285  0.341539  1
  Ni  Ni182  1  0.556822  0.591709  0.362833  1
  Ni  Ni183  1  0.883843  0.352682  0.385184  1
  Ni  Ni184  1  0.221267  0.503546  0.371441  1
  Ni  Ni185  1  0.547792  0.264442  0.393617  1
  Ni  Ni186  1  0.894446  0.743989  0.347463  1
  Ni  Ni187  1  0.359193  0.973016  0.467187  1
  Ni  Ni188  1  0.705949  0.451194  0.422666  1
  Ni  Ni189  1  0.032371  0.212499  0.444878  1
  Ni  Ni190  1  0.292710  0.569534  0.411651  1
  Ni  Ni191  1  0.619210  0.331997  0.433693  1
  Ni  Ni192  1  0.945882  0.092151  0.456090  1
  Ni  Ni193  1  0.455825  0.450754  0.422597  1
  Ni  Ni194  1  0.782542  0.211982  0.444937  1
  Ni  Ni195  1  0.129014  0.689309  0.400618  1
  Ni  Ni196  1  0.363808  0.636486  0.451981  1
  Ni  Ni197  1  0.710314  0.115012  0.407389  1
  Ni  Ni198  1  0.037019  0.875508  0.429759  1
  Ni  Ni199  1  0.374567  0.025502  0.415716  1
  Ni  Ni200  1  0.701291  0.786796  0.438153  1
  Ni  Ni201  1  0.027970  0.548248  0.460147  1
  Ni  Ni202  1  0.205882  0.450821  0.422741  1
  Ni  Ni203  1  0.532520  0.211854  0.444980  1
  Ni  Ni204  1  0.879091  0.691053  0.399950  1
  Ni  Ni205  1  0.445880  0.092292  0.456052  1
  Ni  Ni206  1  0.792934  0.569719  0.411545  1
  Ni  Ni207  1  0.119221  0.331481  0.433806  1
  Ni  Ni208  1  0.282568  0.212020  0.444925  1
  Ni  Ni209  1  0.628944  0.689550  0.400600  1
  Ni  Ni210  1  0.955682  0.451927  0.422368  1
  Ni  Ni211  1  0.210414  0.114570  0.407473  1
  Ni  Ni212  1  0.536945  0.875434  0.429743  1
  Ni  Ni213  1  0.863801  0.636937  0.451796  1
  Ni  Ni214  1  0.201267  0.786893  0.438116  1
  Ni  Ni215  1  0.527943  0.548284  0.460096  1
  Ni  Ni216  1  0.874528  0.025558  0.415850  1
  Ni  Ni217  1  0.339318  0.257118  0.533799  1
  Ni  Ni218  1  0.685950  0.734074  0.489495  1
  Ni  Ni219  1  0.012653  0.495343  0.511618  1
  Ni  Ni220  1  0.272604  0.853379  0.478406  1
  Ni  Ni221  1  0.599255  0.615028  0.500488  1
  Ni  Ni222  1  0.926007  0.376103  0.522714  1
  Ni  Ni223  1  0.435844  0.734169  0.489429  1
  Ni  Ni224  1  0.762670  0.495600  0.511624  1
  Ni  Ni225  1  0.109151  0.973266  0.467234  1
  Ni  Ni226  1  0.343836  0.920384  0.518679  1
  Ni  Ni227  1  0.690512  0.398119  0.474146  1
  Ni  Ni228  1  0.017130  0.159219  0.496421  1
  Ni  Ni229  1  0.354720  0.309440  0.482371  1
  Ni  Ni230  1  0.681354  0.070624  0.504635  1
  Ni  Ni231  1  0.008009  0.831917  0.526826  1
  Ni  Ni232  1  0.185917  0.734342  0.489478  1
  Ni  Ni233  1  0.512606  0.495595  0.511590  1
  Ni  Ni234  1  0.859172  0.972850  0.467216  1
  Ni  Ni235  1  0.426070  0.375765  0.522812  1
  Ni  Ni236  1  0.772528  0.853678  0.478311  1
  Ni  Ni237  1  0.099265  0.615024  0.500498  1
  Ni  Ni238  1  0.262598  0.495612  0.511657  1
  Ni  Ni239  1  0.609185  0.972760  0.467313  1
  Ni  Ni240  1  0.935917  0.734119  0.489417  1
  Ni  Ni241  1  0.190483  0.398033  0.474193  1
  Ni  Ni242  1  0.517187  0.159027  0.496474  1
  Ni  Ni243  1  0.843828  0.920345  0.518675  1
  Ni  Ni244  1  0.181413  0.070439  0.504699  1
  Ni  Ni245  1  0.507975  0.831839  0.526853  1
  Ni  Ni246  1  0.854720  0.309405  0.482358  1
  Ni  Ni247  1  0.319464  0.538108  0.601180  1
  Ni  Ni248  1  0.666028  0.017729  0.556135  1
  Ni  Ni249  1  0.992545  0.779593  0.578188  1
  Ni  Ni250  1  0.252648  0.137581  0.544961  1
  Ni  Ni251  1  0.579338  0.897839  0.567373  1
  Ni  Ni252  1  0.905897  0.659529  0.589545  1
  Ni  Ni253  1  0.415961  0.018332  0.556004  1
  Ni  Ni254  1  0.742830  0.778833  0.578470  1
  Ni  Ni255  1  0.089372  0.256242  0.533951  1
  Ni  Ni256  1  0.323963  0.204317  0.585113  1
  Ni  Ni257  1  0.670607  0.681510  0.540921  1
  Ni  Ni258  1  0.997322  0.442739  0.563072  1
  Ni  Ni259  1  0.334777  0.592536  0.549332  1
  Ni  Ni260  1  0.661501  0.354255  0.571311  1
  Ni  Ni261  1  0.988202  0.115133  0.593680  1
  Ni  Ni262  1  0.166175  0.017115  0.556244  1
  Ni  Ni263  1  0.492480  0.779197  0.578249  1
  Ni  Ni264  1  0.839302  0.257001  0.533814  1
  Ni  Ni265  1  0.405680  0.659285  0.589639  1
  Ni  Ni266  1  0.752647  0.137456  0.544987  1
  Ni  Ni267  1  0.079337  0.898329  0.567284  1
  Ni  Ni268  1  0.242991  0.777724  0.578694  1
  Ni  Ni269  1  0.589339  0.256734  0.533855  1
  Ni  Ni270  1  0.915925  0.018310  0.556023  1
  Ni  Ni271  1  0.170596  0.681536  0.540888  1
  Ni  Ni272  1  0.497286  0.442805  0.563032  1
  Ni  Ni273  1  0.823923  0.204461  0.585220  1
  Ni  Ni274  1  0.161427  0.354157  0.571327  1
  Ni  Ni275  1  0.488308  0.114669  0.593749  1
  Ni  Ni276  1  0.834773  0.593036  0.549141  1
  Ni  Ni277  1  0.300017  0.822856  0.667400  1
  Ni  Ni278  1  0.646154  0.300740  0.622865  1
  Ni  Ni279  1  0.972751  0.060943  0.645396  1
  Ni  Ni280  1  0.232406  0.422009  0.611545  1
  Ni  Ni281  1  0.559139  0.182289  0.634014  1
  Ni  Ni282  1  0.885530  0.946091  0.655695  1
  Ni  Ni283  1  0.396663  0.300168  0.622997  1
  Ni  Ni284  1  0.723090  0.062661  0.645168  1
  Ni  Ni285  1  0.069563  0.541340  0.600225  1
  Ni  Ni286  1  0.304000  0.485495  0.653653  1
  Ni  Ni287  1  0.650788  0.965123  0.607485  1
  Ni  Ni288  1  0.977143  0.727066  0.629334  1
  Ni  Ni289  1  0.314869  0.876697  0.615884  1
  Ni  Ni290  1  0.641884  0.638202  0.638105  1
  Ni  Ni291  1  0.968422  0.399996  0.659936  1
  Ni  Ni292  1  0.145880  0.300644  0.622871  1
  Ni  Ni293  1  0.473232  0.059371  0.645545  1
  Ni  Ni294  1  0.819414  0.539848  0.600805  1
  Ni  Ni295  1  0.385496  0.946975  0.655536  1
  Ni  Ni296  1  0.732647  0.421773  0.611647  1
  Ni  Ni297  1  0.059224  0.181062  0.634266  1
  Ni  Ni298  1  0.223164  0.063208  0.645074  1
  Ni  Ni299  1  0.569606  0.541040  0.600234  1
  Ni  Ni300  1  0.896372  0.301440  0.622778  1
  Ni  Ni301  1  0.150942  0.964527  0.607668  1
  Ni  Ni302  1  0.477027  0.726564  0.629420  1
  Ni  Ni303  1  0.804005  0.487139  0.652722  1
  Ni  Ni304  1  0.141677  0.638850  0.637914  1
  Ni  Ni305  1  0.468447  0.399652  0.659844  1
  Ni  Ni306  1  0.814879  0.877061  0.615886  1
  Ni  Ni307  1  0.280942  0.111094  0.731503  1
  Ni  Ni308  1  0.627122  0.581369  0.689569  1
  Ni  Ni309  1  0.956023  0.339528  0.711500  1
  Ni  Ni310  1  0.213695  0.701396  0.679043  1
  Ni  Ni311  1  0.537863  0.477916  0.698360  1
  Ni  Ni312  1  0.867273  0.226691  0.721688  1
  Ni  Ni313  1  0.375938  0.577927  0.691108  1
  Ni  Ni314  1  0.706459  0.342302  0.711494  1
  Ni  Ni315  1  0.049460  0.824325  0.667436  1
  Ni  Ni316  1  0.283923  0.772175  0.718956  1
  Ni  Ni317  1  0.630384  0.249081  0.674598  1
  Ni  Ni318  1  0.957224  0.005562  0.697940  1
  Ni  Ni319  1  0.295163  0.163962  0.681417  1
  Ni  Ni320  1  0.621616  0.936456  0.704047  1
  Ni  Ni321  1  0.949110  0.679788  0.725702  1
  Ni  Ni322  1  0.125766  0.586609  0.689065  1
  Ni  Ni323  1  0.457366  0.340694  0.711372  1
  Ni  Ni324  1  0.799977  0.822666  0.667548  1
  Ni  Ni325  1  0.370970  0.223358  0.722359  1
  Ni  Ni326  1  0.712788  0.706012  0.678388  1
  Ni  Ni327  1  0.037802  0.476066  0.698777  1
  Ni  Ni328  1  0.202769  0.349690  0.710274  1
  Ni  Ni329  1  0.549834  0.820855  0.667797  1
  Ni  Ni330  1  0.876742  0.579692  0.690637  1
  Ni  Ni331  1  0.130083  0.249303  0.674743  1
  Ni  Ni332  1  0.458041  0.003946  0.698069  1
  Ni  Ni333  1  0.783646  0.777289  0.719072  1
  Ni  Ni334  1  0.121802  0.936146  0.704173  1
  Ni  Ni335  1  0.448861  0.681365  0.725805  1
  Ni  Ni336  1  0.795136  0.163675  0.682282  1
