# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.28205584
_cell_length_b   9.80467686
_cell_length_c   50.66857981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.78844476
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   7841.19791615
_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  0.443537  0.295036  0.291189  1
  Al  Al2  1  0.943537  0.795036  0.291189  1
  Al  Al3  1  0.902049  0.111012  0.340332  1
  Al  Al4  1  0.402049  0.611012  0.340332  1
  Al  Al5  1  0.549100  0.404888  0.329843  1
  Al  Al6  1  0.049100  0.904888  0.329843  1
  Al  Al7  1  0.100531  0.588214  0.284302  1
  Al  Al8  1  0.600531  0.088214  0.284302  1
  Al  Al9  1  0.299057  0.505766  0.304577  1
  Al  Al10  1  0.799057  0.005766  0.304577  1
  Al  Al11  1  0.755235  0.321202  0.350210  1
  Al  Al12  1  0.255235  0.821202  0.350210  1
  Al  Al13  1  0.175272  0.201341  0.318430  1
  Al  Al14  1  0.675272  0.701341  0.318430  1
  Al  Al15  1  0.628389  0.022515  0.362530  1
  Al  Al16  1  0.128389  0.522515  0.362530  1
  Al  Al17  1  0.276998  0.311610  0.352654  1
  Al  Al18  1  0.776998  0.811610  0.352654  1
  Al  Al19  1  0.823653  0.491458  0.307303  1
  Al  Al20  1  0.323653  0.991458  0.307303  1
  Al  Al21  1  0.573660  0.599360  0.282218  1
  Al  Al22  1  0.073660  0.099360  0.282218  1
  Al  Al23  1  0.028814  0.412271  0.328520  1
  Al  Al24  1  0.528814  0.912271  0.328520  1
  Al  Al25  1  0.355915  0.927661  0.385660  1
  Al  Al26  1  0.855915  0.427661  0.385660  1
  Al  Al27  1  0.809580  0.742790  0.430860  1
  Al  Al28  1  0.309580  0.242790  0.430860  1
  Al  Al29  1  0.456377  0.034899  0.420747  1
  Al  Al30  1  0.956377  0.534899  0.420747  1
  Al  Al31  1  0.003445  0.219000  0.375238  1
  Al  Al32  1  0.503445  0.719000  0.375238  1
  Al  Al33  1  0.209716  0.135747  0.395803  1
  Al  Al34  1  0.709716  0.635747  0.395803  1
  Al  Al35  1  0.662963  0.950336  0.441151  1
  Al  Al36  1  0.162963  0.450336  0.441151  1
  Al  Al37  1  0.082792  0.834900  0.408230  1
  Al  Al38  1  0.582792  0.334900  0.408230  1
  Al  Al39  1  0.536410  0.649810  0.453663  1
  Al  Al40  1  0.036410  0.149810  0.453663  1
  Al  Al41  1  0.183142  0.941807  0.443351  1
  Al  Al42  1  0.683142  0.441807  0.443351  1
  Al  Al43  1  0.729690  0.127685  0.397756  1
  Al  Al44  1  0.229690  0.627685  0.397756  1
  Al  Al45  1  0.482427  0.228576  0.372545  1
  Al  Al46  1  0.982427  0.728576  0.372545  1
  Al  Al47  1  0.936298  0.043278  0.418402  1
  Al  Al48  1  0.436298  0.543278  0.418402  1
  Al  Al49  1  0.263142  0.556965  0.476217  1
  Al  Al50  1  0.763142  0.056965  0.476217  1
  Al  Al51  1  0.716259  0.371779  0.521994  1
  Al  Al52  1  0.216259  0.871779  0.521994  1
  Al  Al53  1  0.363222  0.663854  0.511524  1
  Al  Al54  1  0.863222  0.163854  0.511524  1
  Al  Al55  1  0.909799  0.849372  0.465825  1
  Al  Al56  1  0.409799  0.349372  0.465825  1
  Al  Al57  1  0.116214  0.764992  0.486621  1
  Al  Al58  1  0.616214  0.264992  0.486621  1
  Al  Al59  1  0.569575  0.579512  0.532481  1
  Al  Al60  1  0.069575  0.079512  0.532481  1
  Al  Al61  1  0.989678  0.464352  0.499070  1
  Al  Al62  1  0.489678  0.964352  0.499070  1
  Al  Al63  1  0.442939  0.278733  0.544319  1
  Al  Al64  1  0.942939  0.778733  0.544319  1
  Al  Al65  1  0.089837  0.571216  0.533939  1
  Al  Al66  1  0.589837  0.071216  0.533939  1
  Al  Al67  1  0.636533  0.756489  0.488776  1
  Al  Al68  1  0.136533  0.256489  0.488776  1
  Al  Al69  1  0.389564  0.857523  0.464078  1
  Al  Al70  1  0.889564  0.357523  0.464078  1
  Al  Al71  1  0.842889  0.671893  0.509414  1
  Al  Al72  1  0.342889  0.171893  0.509414  1
  Al  Al73  1  0.169515  0.186127  0.567479  1
  Al  Al74  1  0.669515  0.686127  0.567479  1
  Al  Al75  1  0.623306  0.001079  0.612162  1
  Al  Al76  1  0.123306  0.501079  0.612162  1
  Al  Al77  1  0.269544  0.293189  0.602248  1
  Al  Al78  1  0.769544  0.793189  0.602248  1
  Al  Al79  1  0.816531  0.478147  0.557133  1
  Al  Al80  1  0.316531  0.978147  0.557133  1
  Al  Al81  1  0.023233  0.393164  0.577622  1
  Al  Al82  1  0.523233  0.893164  0.577622  1
  Al  Al83  1  0.475994  0.209420  0.622531  1
  Al  Al84  1  0.975994  0.709420  0.622531  1
  Al  Al85  1  0.896217  0.094681  0.589856  1
  Al  Al86  1  0.396217  0.594681  0.589856  1
  Al  Al87  1  0.350913  0.906745  0.635860  1
  Al  Al88  1  0.850913  0.406745  0.635860  1
  Al  Al89  1  0.997269  0.200137  0.626318  1
  Al  Al90  1  0.497269  0.700137  0.626318  1
  Al  Al91  1  0.543162  0.385598  0.579483  1
  Al  Al92  1  0.043162  0.885598  0.579483  1
  Al  Al93  1  0.296325  0.486756  0.554581  1
  Al  Al94  1  0.796325  0.986756  0.554581  1
  Al  Al95  1  0.749799  0.301710  0.600713  1
  Al  Al96  1  0.249799  0.801710  0.600713  1
  Al  Al97  1  0.076311  0.821465  0.656459  1
  Al  Al98  1  0.576311  0.321465  0.656459  1
  Al  Al99  1  0.538283  0.637720  0.706663  1
  Al  Al100  1  0.038283  0.137720  0.706663  1
  Al  Al101  1  0.183691  0.921251  0.695864  1
  Al  Al102  1  0.683691  0.421251  0.695864  1
  Al  Al103  1  0.724203  0.107221  0.646936  1
  Al  Al104  1  0.224203  0.607221  0.646936  1
  Al  Al105  1  0.931460  0.024246  0.667628  1
  Al  Al106  1  0.431460  0.524246  0.667628  1
  Al  Al107  1  0.374960  0.840760  0.714815  1
  Al  Al108  1  0.874960  0.340760  0.714815  1
  Al  Al109  1  0.804986  0.731006  0.679068  1
  Al  Al110  1  0.304986  0.231006  0.679068  1
  Al  Al111  1  0.259594  0.590025  0.724111  1
  Al  Al112  1  0.759594  0.090025  0.724111  1
  Al  Al113  1  0.906164  0.834311  0.715536  1
  Al  Al114  1  0.406164  0.334311  0.715536  1
  Al  Al115  1  0.450132  0.016767  0.669927  1
  Al  Al116  1  0.950132  0.516767  0.669927  1
  Al  Al117  1  0.203018  0.116967  0.646164  1
  Al  Al118  1  0.703018  0.616967  0.646164  1
  Al  Al119  1  0.655130  0.940510  0.690880  1
  Al  Al120  1  0.155130  0.440510  0.690880  1
  Ni  Ni121  1  0.403614  0.110032  0.340333  1
  Ni  Ni122  1  0.903614  0.610032  0.340333  1
  Ni  Ni123  1  0.947292  0.297442  0.294985  1
  Ni  Ni124  1  0.447292  0.797442  0.294985  1
  Ni  Ni125  1  0.267147  0.065526  0.351410  1
  Ni  Ni126  1  0.767147  0.565526  0.351410  1
  Ni  Ni127  1  0.810610  0.249098  0.305659  1
  Ni  Ni128  1  0.310610  0.749098  0.305659  1
  Ni  Ni129  1  0.584392  0.345877  0.283963  1
  Ni  Ni130  1  0.084392  0.845877  0.283963  1
  Ni  Ni131  1  0.038327  0.158005  0.328840  1
  Ni  Ni132  1  0.538327  0.658005  0.328840  1
  Ni  Ni133  1  0.444527  0.539627  0.296670  1
  Ni  Ni134  1  0.944527  0.039627  0.296670  1
  Ni  Ni135  1  0.900791  0.352423  0.342553  1
  Ni  Ni136  1  0.400791  0.852423  0.342553  1
  Ni  Ni137  1  0.404761  0.368751  0.336806  1
  Ni  Ni138  1  0.904761  0.868751  0.336806  1
  Ni  Ni139  1  0.953552  0.550082  0.292553  1
  Ni  Ni140  1  0.453552  0.050082  0.292553  1
  Ni  Ni141  1  0.225028  0.385410  0.273491  1
  Ni  Ni142  1  0.725028  0.885410  0.273491  1
  Ni  Ni143  1  0.674744  0.202845  0.318205  1
  Ni  Ni144  1  0.174744  0.702845  0.318205  1
  Ni  Ni145  1  0.537210  0.161380  0.327612  1
  Ni  Ni146  1  0.037210  0.661380  0.327612  1
  Ni  Ni147  1  0.086307  0.342607  0.284259  1
  Ni  Ni148  1  0.586307  0.842607  0.284259  1
  Ni  Ni149  1  0.312555  0.243874  0.306830  1
  Ni  Ni150  1  0.812555  0.743874  0.306830  1
  Ni  Ni151  1  0.766060  0.065223  0.351479  1
  Ni  Ni152  1  0.266060  0.565223  0.351479  1
  Ni  Ni153  1  0.173187  0.443906  0.320105  1
  Ni  Ni154  1  0.673187  0.943906  0.320105  1
  Ni  Ni155  1  0.720890  0.629590  0.275138  1
  Ni  Ni156  1  0.220890  0.129590  0.275138  1
  Ni  Ni157  1  0.131576  0.278963  0.361196  1
  Ni  Ni158  1  0.631576  0.778963  0.361196  1
  Ni  Ni159  1  0.679035  0.458648  0.313608  1
  Ni  Ni160  1  0.179035  0.958648  0.313608  1
  Ni  Ni161  1  0.309615  0.742829  0.430851  1
  Ni  Ni162  1  0.809615  0.242829  0.430851  1
  Ni  Ni163  1  0.856931  0.927911  0.385049  1
  Ni  Ni164  1  0.356931  0.427911  0.385049  1
  Ni  Ni165  1  0.173064  0.696075  0.442228  1
  Ni  Ni166  1  0.673064  0.196075  0.442228  1
  Ni  Ni167  1  0.719711  0.882439  0.396681  1
  Ni  Ni168  1  0.219711  0.382439  0.396681  1
  Ni  Ni169  1  0.492644  0.973230  0.374650  1
  Ni  Ni170  1  0.992644  0.473230  0.374650  1
  Ni  Ni171  1  0.946232  0.789150  0.419278  1
  Ni  Ni172  1  0.446232  0.289150  0.419278  1
  Ni  Ni173  1  0.354583  0.169738  0.387488  1
  Ni  Ni174  1  0.854583  0.669738  0.387488  1
  Ni  Ni175  1  0.807838  0.984986  0.432613  1
  Ni  Ni176  1  0.307838  0.484986  0.432613  1
  Ni  Ni177  1  0.311524  1.000375  0.429118  1
  Ni  Ni178  1  0.811524  0.500375  0.429118  1
  Ni  Ni179  1  0.857997  0.185884  0.383502  1
  Ni  Ni180  1  0.357997  0.685884  0.383502  1
  Ni  Ni181  1  0.130480  0.020985  0.362145  1
  Ni  Ni182  1  0.630480  0.520985  0.362145  1
  Ni  Ni183  1  0.583281  0.834705  0.408412  1
  Ni  Ni184  1  0.083281  0.334705  0.408412  1
  Ni  Ni185  1  0.446414  0.788981  0.419592  1
  Ni  Ni186  1  0.946414  0.288981  0.419592  1
  Ni  Ni187  1  0.993536  0.973905  0.373977  1
  Ni  Ni188  1  0.493536  0.473905  0.373977  1
  Ni  Ni189  1  0.219206  0.881938  0.396718  1
  Ni  Ni190  1  0.719206  0.381938  0.396718  1
  Ni  Ni191  1  0.673181  0.695748  0.442378  1
  Ni  Ni192  1  0.173181  0.195748  0.442378  1
  Ni  Ni193  1  0.081378  0.076942  0.410043  1
  Ni  Ni194  1  0.581378  0.576942  0.410043  1
  Ni  Ni195  1  0.627057  0.263185  0.364809  1
  Ni  Ni196  1  0.127057  0.763185  0.364809  1
  Ni  Ni197  1  0.038270  0.907761  0.451690  1
  Ni  Ni198  1  0.538270  0.407761  0.451690  1
  Ni  Ni199  1  0.584709  0.093025  0.406135  1
  Ni  Ni200  1  0.084709  0.593025  0.406135  1
  Ni  Ni201  1  0.216440  0.371772  0.521614  1
  Ni  Ni202  1  0.716440  0.871772  0.521614  1
  Ni  Ni203  1  0.763032  0.556685  0.476512  1
  Ni  Ni204  1  0.263032  0.056685  0.476512  1
  Ni  Ni205  1  0.079784  0.325262  0.533158  1
  Ni  Ni206  1  0.579784  0.825262  0.533158  1
  Ni  Ni207  1  0.626296  0.510708  0.487872  1
  Ni  Ni208  1  0.126296  0.010708  0.487872  1
  Ni  Ni209  1  0.399704  0.603560  0.464954  1
  Ni  Ni210  1  0.899704  0.103560  0.464954  1
  Ni  Ni211  1  0.853137  0.417515  0.510664  1
  Ni  Ni212  1  0.353137  0.917515  0.510664  1
  Ni  Ni213  1  0.261033  0.799238  0.478358  1
  Ni  Ni214  1  0.761033  0.299238  0.478358  1
  Ni  Ni215  1  0.714327  0.613972  0.523860  1
  Ni  Ni216  1  0.214327  0.113972  0.523860  1
  Ni  Ni217  1  0.218395  0.629592  0.519724  1
  Ni  Ni218  1  0.718395  0.129592  0.519724  1
  Ni  Ni219  1  0.765036  0.814602  0.474385  1
  Ni  Ni220  1  0.265036  0.314602  0.474385  1
  Ni  Ni221  1  0.036261  0.650184  0.453470  1
  Ni  Ni222  1  0.536261  0.150184  0.453470  1
  Ni  Ni223  1  0.489683  0.464533  0.499049  1
  Ni  Ni224  1  0.989683  0.964533  0.499049  1
  Ni  Ni225  1  0.353130  0.418011  0.510246  1
  Ni  Ni226  1  0.853130  0.918011  0.510246  1
  Ni  Ni227  1  0.899581  0.603503  0.465022  1
  Ni  Ni228  1  0.399581  0.103503  0.465022  1
  Ni  Ni229  1  0.126364  0.510904  0.487538  1
  Ni  Ni230  1  0.626364  0.010904  0.487538  1
  Ni  Ni231  1  0.579631  0.325427  0.533075  1
  Ni  Ni232  1  0.079631  0.825427  0.533075  1
  Ni  Ni233  1  0.987665  0.706782  0.500814  1
  Ni  Ni234  1  0.487665  0.206782  0.500814  1
  Ni  Ni235  1  0.534452  0.892083  0.455600  1
  Ni  Ni236  1  0.034452  0.392083  0.455600  1
  Ni  Ni237  1  0.945069  0.536046  0.542604  1
  Ni  Ni238  1  0.445069  0.036046  0.542604  1
  Ni  Ni239  1  0.491777  0.721920  0.497319  1
  Ni  Ni240  1  0.991777  0.221920  0.497319  1
  Ni  Ni241  1  0.123219  0.999535  0.613752  1
  Ni  Ni242  1  0.623219  0.499535  0.613752  1
  Ni  Ni243  1  0.669849  0.186339  0.567010  1
  Ni  Ni244  1  0.169849  0.686339  0.567010  1
  Ni  Ni245  1  0.985471  0.956235  0.623445  1
  Ni  Ni246  1  0.485471  0.456235  0.623445  1
  Ni  Ni247  1  0.533050  0.139785  0.578243  1
  Ni  Ni248  1  0.033050  0.639785  0.578243  1
  Ni  Ni249  1  0.306205  0.232535  0.555787  1
  Ni  Ni250  1  0.806205  0.732535  0.555787  1
  Ni  Ni251  1  0.760223  0.047203  0.600924  1
  Ni  Ni252  1  0.260223  0.547203  0.600924  1
  Ni  Ni253  1  0.167910  0.428434  0.568838  1
  Ni  Ni254  1  0.667910  0.928434  0.568838  1
  Ni  Ni255  1  0.621422  0.242655  0.614022  1
  Ni  Ni256  1  0.121422  0.742655  0.614022  1
  Ni  Ni257  1  0.124894  0.258195  0.611211  1
  Ni  Ni258  1  0.624894  0.758195  0.611211  1
  Ni  Ni259  1  0.671690  0.443895  0.565752  1
  Ni  Ni260  1  0.171690  0.943895  0.565752  1
  Ni  Ni261  1  0.943321  0.277983  0.544904  1
  Ni  Ni262  1  0.443321  0.777983  0.544904  1
  Ni  Ni263  1  0.396496  0.093310  0.589785  1
  Ni  Ni264  1  0.896496  0.593310  0.589785  1
  Ni  Ni265  1  0.259645  0.046863  0.601644  1
  Ni  Ni266  1  0.759645  0.546863  0.601644  1
  Ni  Ni267  1  0.806271  0.232800  0.556017  1
  Ni  Ni268  1  0.306271  0.732800  0.556017  1
  Ni  Ni269  1  0.033252  0.138698  0.579425  1
  Ni  Ni270  1  0.533252  0.638698  0.579425  1
  Ni  Ni271  1  0.487359  0.954187  0.623940  1
  Ni  Ni272  1  0.987359  0.454187  0.623940  1
  Ni  Ni273  1  0.894864  0.335699  0.592300  1
  Ni  Ni274  1  0.394864  0.835699  0.592300  1
  Ni  Ni275  1  0.441072  0.520963  0.546428  1
  Ni  Ni276  1  0.941072  0.020963  0.546428  1
  Ni  Ni277  1  0.852106  0.166489  0.633596  1
  Ni  Ni278  1  0.352106  0.666489  0.633596  1
  Ni  Ni279  1  0.397991  0.351808  0.587784  1
  Ni  Ni280  1  0.897991  0.851808  0.587784  1
  Ni  Ni281  1  0.030011  0.633028  0.703473  1
  Ni  Ni282  1  0.530011  0.133028  0.703473  1
  Ni  Ni283  1  0.576606  0.816149  0.659202  1
  Ni  Ni284  1  0.076606  0.316149  0.659202  1
  Ni  Ni285  1  0.887288  0.589851  0.714273  1
  Ni  Ni286  1  0.387288  0.089851  0.714273  1
  Ni  Ni287  1  0.441165  0.767458  0.671302  1
  Ni  Ni288  1  0.941165  0.267458  0.671302  1
  Ni  Ni289  1  0.213805  0.861834  0.647777  1
  Ni  Ni290  1  0.713805  0.361834  0.647777  1
  Ni  Ni291  1  0.672330  0.682441  0.693513  1
  Ni  Ni292  1  0.172330  0.182441  0.693513  1
  Ni  Ni293  1  0.076698  0.059752  0.661932  1
  Ni  Ni294  1  0.576698  0.559752  0.661932  1
  Ni  Ni295  1  0.524008  0.883106  0.706316  1
  Ni  Ni296  1  0.024008  0.383106  0.706316  1
  Ni  Ni297  1  0.036332  0.890031  0.700662  1
  Ni  Ni298  1  0.536332  0.390031  0.700662  1
  Ni  Ni299  1  0.577811  0.076616  0.655350  1
  Ni  Ni300  1  0.077811  0.576616  0.655350  1
  Ni  Ni301  1  0.849167  0.907505  0.635371  1
  Ni  Ni302  1  0.349167  0.407505  0.635371  1
  Ni  Ni303  1  0.304035  0.722203  0.681166  1
  Ni  Ni304  1  0.804035  0.222203  0.681166  1
  Ni  Ni305  1  0.163845  0.684764  0.689300  1
  Ni  Ni306  1  0.663845  0.184764  0.689300  1
  Ni  Ni307  1  0.711605  0.864255  0.646578  1
  Ni  Ni308  1  0.211605  0.364255  0.646578  1
  Ni  Ni309  1  0.941686  0.771702  0.668897  1
  Ni  Ni310  1  0.441686  0.271702  0.668897  1
  Ni  Ni311  1  0.404279  0.582830  0.713372  1
  Ni  Ni312  1  0.904279  0.082830  0.713372  1
  Ni  Ni313  1  0.801817  0.969980  0.682811  1
  Ni  Ni314  1  0.301817  0.469980  0.682811  1
  Ni  Ni315  1  0.348149  0.149545  0.636771  1
  Ni  Ni316  1  0.848149  0.649545  0.636771  1
  Ni  Ni317  1  0.759744  0.816707  0.722665  1
  Ni  Ni318  1  0.259744  0.316707  0.722665  1
  Ni  Ni319  1  0.306261  0.984776  0.678620  1
  Ni  Ni320  1  0.806261  0.484776  0.678620  1
