# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   20.10464088
_cell_length_b   8.41018912
_cell_length_c   50.17901664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.40887525
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al126 Ni210'
_cell_volume   8002.29866751
_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  0.823570  0.272171  0.321859  1
  Al  Al2  1  0.467608  0.786358  0.273430  1
  Al  Al3  1  0.152396  0.536392  0.294920  1
  Al  Al4  1  0.814707  0.947594  0.308732  1
  Al  Al5  1  0.490960  0.684014  0.329458  1
  Al  Al6  1  0.134977  0.202259  0.283830  1
  Al  Al7  1  0.791182  0.371244  0.271028  1
  Al  Al8  1  0.473172  0.103777  0.293378  1
  Al  Al9  1  0.151722  0.850615  0.314698  1
  Al  Al10  1  0.652396  0.536392  0.294920  1
  Al  Al11  1  0.323570  0.272171  0.321859  1
  Al  Al12  1  0.967608  0.786358  0.273430  1
  Al  Al13  1  0.634977  0.202259  0.283830  1
  Al  Al14  1  0.314707  0.947594  0.308732  1
  Al  Al15  1  0.990960  0.684014  0.329458  1
  Al  Al16  1  0.651722  0.850615  0.314698  1
  Al  Al17  1  0.291182  0.371244  0.271028  1
  Al  Al18  1  0.973172  0.103777  0.293378  1
  Al  Al19  1  0.852251  0.493548  0.388751  1
  Al  Al20  1  0.498892  0.012019  0.344322  1
  Al  Al21  1  0.174936  0.751463  0.366254  1
  Al  Al22  1  0.845431  0.168748  0.373560  1
  Al  Al23  1  0.523491  0.911471  0.395621  1
  Al  Al24  1  0.167868  0.427453  0.351193  1
  Al  Al25  1  0.828915  0.592479  0.337167  1
  Al  Al26  1  0.507299  0.335293  0.359269  1
  Al  Al27  1  0.182926  0.075395  0.381562  1
  Al  Al28  1  0.674936  0.751463  0.366254  1
  Al  Al29  1  0.352251  0.493548  0.388751  1
  Al  Al30  1  0.998892  0.012019  0.344322  1
  Al  Al31  1  0.667868  0.427453  0.351193  1
  Al  Al32  1  0.345431  0.168748  0.373560  1
  Al  Al33  1  0.023491  0.911471  0.395621  1
  Al  Al34  1  0.682926  0.075395  0.381562  1
  Al  Al35  1  0.328915  0.592479  0.337167  1
  Al  Al36  1  0.007299  0.335293  0.359269  1
  Al  Al37  1  0.885389  0.719606  0.455177  1
  Al  Al38  1  0.530649  0.235883  0.410810  1
  Al  Al39  1  0.207733  0.977353  0.433145  1
  Al  Al40  1  0.877924  0.395589  0.440062  1
  Al  Al41  1  0.555103  0.137442  0.462339  1
  Al  Al42  1  0.200524  0.653594  0.418004  1
  Al  Al43  1  0.860315  0.817223  0.403725  1
  Al  Al44  1  0.537908  0.559464  0.425903  1
  Al  Al45  1  0.215013  0.301371  0.448301  1
  Al  Al46  1  0.707733  0.977353  0.433145  1
  Al  Al47  1  0.385389  0.719606  0.455177  1
  Al  Al48  1  0.030649  0.235883  0.410810  1
  Al  Al49  1  0.700524  0.653594  0.418004  1
  Al  Al50  1  0.377924  0.395589  0.440062  1
  Al  Al51  1  0.055103  0.137442  0.462339  1
  Al  Al52  1  0.715013  0.301371  0.448301  1
  Al  Al53  1  0.360315  0.817223  0.403725  1
  Al  Al54  1  0.037908  0.559464  0.425903  1
  Al  Al55  1  0.917111  0.945671  0.521906  1
  Al  Al56  1  0.562366  0.461362  0.477499  1
  Al  Al57  1  0.239750  0.203520  0.499697  1
  Al  Al58  1  0.909909  0.621537  0.506716  1
  Al  Al59  1  0.586971  0.363317  0.529022  1
  Al  Al60  1  0.232468  0.879428  0.484562  1
  Al  Al61  1  0.892486  0.043607  0.470369  1
  Al  Al62  1  0.569548  0.785450  0.492687  1
  Al  Al63  1  0.246986  0.527625  0.514848  1
  Al  Al64  1  0.739750  0.203520  0.499697  1
  Al  Al65  1  0.417111  0.945671  0.521906  1
  Al  Al66  1  0.062366  0.461362  0.477499  1
  Al  Al67  1  0.732468  0.879428  0.484562  1
  Al  Al68  1  0.409909  0.621537  0.506716  1
  Al  Al69  1  0.086971  0.363317  0.529022  1
  Al  Al70  1  0.746986  0.527625  0.514848  1
  Al  Al71  1  0.392486  0.043607  0.470369  1
  Al  Al72  1  0.069548  0.785450  0.492687  1
  Al  Al73  1  0.948639  0.170983  0.588665  1
  Al  Al74  1  0.594111  0.687471  0.544212  1
  Al  Al75  1  0.271661  0.429704  0.566271  1
  Al  Al76  1  0.941455  0.847620  0.573516  1
  Al  Al77  1  0.619077  0.589916  0.595749  1
  Al  Al78  1  0.264421  0.105586  0.551085  1
  Al  Al79  1  0.924325  0.269631  0.537105  1
  Al  Al80  1  0.601617  0.011544  0.559338  1
  Al  Al81  1  0.279046  0.753272  0.581326  1
  Al  Al82  1  0.771661  0.429704  0.566271  1
  Al  Al83  1  0.448639  0.170983  0.588665  1
  Al  Al84  1  0.094111  0.687471  0.544212  1
  Al  Al85  1  0.764421  0.105586  0.551085  1
  Al  Al86  1  0.441455  0.847620  0.573516  1
  Al  Al87  1  0.119077  0.589916  0.595749  1
  Al  Al88  1  0.779046  0.753272  0.581326  1
  Al  Al89  1  0.424325  0.269631  0.537105  1
  Al  Al90  1  0.101617  0.011544  0.559338  1
  Al  Al91  1  0.979561  0.394712  0.655159  1
  Al  Al92  1  0.627055  0.913387  0.610663  1
  Al  Al93  1  0.304108  0.655061  0.633150  1
  Al  Al94  1  0.972598  0.071973  0.640115  1
  Al  Al95  1  0.651690  0.813919  0.661541  1
  Al  Al96  1  0.296478  0.332509  0.618079  1
  Al  Al97  1  0.956007  0.495098  0.603621  1
  Al  Al98  1  0.633671  0.237864  0.625833  1
  Al  Al99  1  0.311486  0.979789  0.648598  1
  Al  Al100  1  0.804108  0.655061  0.633150  1
  Al  Al101  1  0.479561  0.394712  0.655159  1
  Al  Al102  1  0.127055  0.913387  0.610663  1
  Al  Al103  1  0.796478  0.332509  0.618079  1
  Al  Al104  1  0.472598  0.071973  0.640115  1
  Al  Al105  1  0.151690  0.813919  0.661541  1
  Al  Al106  1  0.811486  0.979789  0.648598  1
  Al  Al107  1  0.456007  0.495098  0.603621  1
  Al  Al108  1  0.133671  0.237864  0.625833  1
  Al  Al109  1  0.023239  0.638196  0.724614  1
  Al  Al110  1  0.657110  0.139049  0.676869  1
  Al  Al111  1  0.330377  0.880624  0.702686  1
  Al  Al112  1  0.008668  0.307859  0.706712  1
  Al  Al113  1  0.688438  0.033222  0.728615  1
  Al  Al114  1  0.328826  0.552932  0.683672  1
  Al  Al115  1  0.987602  0.723105  0.670375  1
  Al  Al116  1  0.662613  0.459555  0.692901  1
  Al  Al117  1  0.343926  0.207649  0.715362  1
  Al  Al118  1  0.830377  0.880624  0.702686  1
  Al  Al119  1  0.523239  0.638196  0.724614  1
  Al  Al120  1  0.157110  0.139049  0.676869  1
  Al  Al121  1  0.828826  0.552932  0.683672  1
  Al  Al122  1  0.508668  0.307859  0.706712  1
  Al  Al123  1  0.188438  0.033222  0.728615  1
  Al  Al124  1  0.843926  0.207649  0.715362  1
  Al  Al125  1  0.487602  0.723105  0.670375  1
  Al  Al126  1  0.162613  0.459555  0.692901  1
  Ni  Ni127  1  0.621276  0.912859  0.268056  1
  Ni  Ni128  1  0.303380  0.654828  0.289811  1
  Ni  Ni129  1  0.979168  0.391579  0.312474  1
  Ni  Ni130  1  0.573657  0.273675  0.321055  1
  Ni  Ni131  1  0.225303  0.811146  0.276017  1
  Ni  Ni132  1  0.897232  0.530832  0.298759  1
  Ni  Ni133  1  0.550874  0.646986  0.289234  1
  Ni  Ni134  1  0.230283  0.392712  0.312106  1
  Ni  Ni135  1  0.870136  0.919916  0.267656  1
  Ni  Ni136  1  0.553590  0.951503  0.306563  1
  Ni  Ni137  1  0.232183  0.696449  0.328104  1
  Ni  Ni138  1  0.879360  0.219927  0.282559  1
  Ni  Ni139  1  0.733566  0.098365  0.293458  1
  Ni  Ni140  1  0.410503  0.835974  0.315268  1
  Ni  Ni141  1  0.046141  0.358658  0.272705  1
  Ni  Ni142  1  0.803380  0.654828  0.289811  1
  Ni  Ni143  1  0.479168  0.391579  0.312474  1
  Ni  Ni144  1  0.121276  0.912859  0.268056  1
  Ni  Ni145  1  0.725303  0.811146  0.276017  1
  Ni  Ni146  1  0.397232  0.530832  0.298759  1
  Ni  Ni147  1  0.073657  0.273675  0.321055  1
  Ni  Ni148  1  0.730283  0.392712  0.312106  1
  Ni  Ni149  1  0.370136  0.919916  0.267656  1
  Ni  Ni150  1  0.050874  0.646986  0.289234  1
  Ni  Ni151  1  0.732183  0.696449  0.328104  1
  Ni  Ni152  1  0.379360  0.219927  0.282559  1
  Ni  Ni153  1  0.053590  0.951503  0.306563  1
  Ni  Ni154  1  0.546141  0.358658  0.272705  1
  Ni  Ni155  1  0.233566  0.098365  0.293458  1
  Ni  Ni156  1  0.910503  0.835974  0.315268  1
  Ni  Ni157  1  0.658433  0.135542  0.333154  1
  Ni  Ni158  1  0.337177  0.878733  0.355573  1
  Ni  Ni159  1  0.016048  0.622369  0.377299  1
  Ni  Ni160  1  0.604003  0.493798  0.388623  1
  Ni  Ni161  1  0.248281  0.011199  0.344349  1
  Ni  Ni162  1  0.926535  0.751655  0.366453  1
  Ni  Ni163  1  0.586903  0.879714  0.355119  1
  Ni  Ni164  1  0.263488  0.621926  0.377481  1
  Ni  Ni165  1  0.909651  0.136979  0.333838  1
  Ni  Ni166  1  0.588364  0.181725  0.372490  1
  Ni  Ni167  1  0.264979  0.922714  0.394678  1
  Ni  Ni168  1  0.910434  0.439821  0.350914  1
  Ni  Ni169  1  0.763372  0.321448  0.360208  1
  Ni  Ni170  1  0.441107  0.064138  0.382639  1
  Ni  Ni171  1  0.088710  0.578975  0.336434  1
  Ni  Ni172  1  0.837177  0.878733  0.355573  1
  Ni  Ni173  1  0.516048  0.622369  0.377299  1
  Ni  Ni174  1  0.158433  0.135542  0.333154  1
  Ni  Ni175  1  0.748281  0.011199  0.344349  1
  Ni  Ni176  1  0.426535  0.751655  0.366453  1
  Ni  Ni177  1  0.104003  0.493798  0.388623  1
  Ni  Ni178  1  0.763488  0.621926  0.377481  1
  Ni  Ni179  1  0.409651  0.136979  0.333838  1
  Ni  Ni180  1  0.086903  0.879714  0.355119  1
  Ni  Ni181  1  0.764979  0.922714  0.394678  1
  Ni  Ni182  1  0.410434  0.439821  0.350914  1
  Ni  Ni183  1  0.088364  0.181725  0.372490  1
  Ni  Ni184  1  0.588710  0.578975  0.336434  1
  Ni  Ni185  1  0.263372  0.321448  0.360208  1
  Ni  Ni186  1  0.941107  0.064138  0.382639  1
  Ni  Ni187  1  0.692125  0.364141  0.399829  1
  Ni  Ni188  1  0.369157  0.106544  0.421900  1
  Ni  Ni189  1  0.046396  0.848446  0.444133  1
  Ni  Ni190  1  0.634915  0.719370  0.455327  1
  Ni  Ni191  1  0.280289  0.234982  0.410920  1
  Ni  Ni192  1  0.957882  0.977596  0.432971  1
  Ni  Ni193  1  0.619162  0.106483  0.421980  1
  Ni  Ni194  1  0.296549  0.848513  0.444172  1
  Ni  Ni195  1  0.941901  0.364940  0.399607  1
  Ni  Ni196  1  0.620099  0.407345  0.439121  1
  Ni  Ni197  1  0.297466  0.149466  0.461307  1
  Ni  Ni198  1  0.942964  0.665225  0.416696  1
  Ni  Ni199  1  0.795380  0.547676  0.427134  1
  Ni  Ni200  1  0.472898  0.289690  0.449179  1
  Ni  Ni201  1  0.118402  0.805793  0.404832  1
  Ni  Ni202  1  0.869157  0.106544  0.421900  1
  Ni  Ni203  1  0.546396  0.848446  0.444133  1
  Ni  Ni204  1  0.192125  0.364141  0.399829  1
  Ni  Ni205  1  0.780289  0.234982  0.410920  1
  Ni  Ni206  1  0.457882  0.977596  0.432971  1
  Ni  Ni207  1  0.134915  0.719370  0.455327  1
  Ni  Ni208  1  0.796549  0.848513  0.444172  1
  Ni  Ni209  1  0.441901  0.364940  0.399607  1
  Ni  Ni210  1  0.119162  0.106483  0.421980  1
  Ni  Ni211  1  0.797466  0.149466  0.461307  1
  Ni  Ni212  1  0.442964  0.665225  0.416696  1
  Ni  Ni213  1  0.120099  0.407345  0.439121  1
  Ni  Ni214  1  0.618402  0.805793  0.404832  1
  Ni  Ni215  1  0.295380  0.547676  0.427134  1
  Ni  Ni216  1  0.972898  0.289690  0.449179  1
  Ni  Ni217  1  0.723638  0.590477  0.466447  1
  Ni  Ni218  1  0.401191  0.332673  0.488553  1
  Ni  Ni219  1  0.078217  0.074332  0.510865  1
  Ni  Ni220  1  0.666937  0.945365  0.521926  1
  Ni  Ni221  1  0.312519  0.461689  0.477468  1
  Ni  Ni222  1  0.989692  0.203511  0.499711  1
  Ni  Ni223  1  0.650936  0.332331  0.488649  1
  Ni  Ni224  1  0.328556  0.074681  0.510756  1
  Ni  Ni225  1  0.973911  0.590506  0.466318  1
  Ni  Ni226  1  0.651843  0.633362  0.505791  1
  Ni  Ni227  1  0.329396  0.375575  0.527908  1
  Ni  Ni228  1  0.974686  0.891428  0.483505  1
  Ni  Ni229  1  0.827619  0.773646  0.493606  1
  Ni  Ni230  1  0.504772  0.515552  0.515901  1
  Ni  Ni231  1  0.150026  0.031441  0.471507  1
  Ni  Ni232  1  0.901191  0.332673  0.488553  1
  Ni  Ni233  1  0.578217  0.074332  0.510865  1
  Ni  Ni234  1  0.223638  0.590477  0.466447  1
  Ni  Ni235  1  0.812519  0.461689  0.477468  1
  Ni  Ni236  1  0.489692  0.203511  0.499711  1
  Ni  Ni237  1  0.166937  0.945365  0.521926  1
  Ni  Ni238  1  0.828556  0.074681  0.510756  1
  Ni  Ni239  1  0.473911  0.590506  0.466318  1
  Ni  Ni240  1  0.150936  0.332331  0.488649  1
  Ni  Ni241  1  0.829396  0.375575  0.527908  1
  Ni  Ni242  1  0.474686  0.891428  0.483505  1
  Ni  Ni243  1  0.151843  0.633362  0.505791  1
  Ni  Ni244  1  0.650026  0.031441  0.471507  1
  Ni  Ni245  1  0.327619  0.773646  0.493606  1
  Ni  Ni246  1  0.004772  0.515552  0.515901  1
  Ni  Ni247  1  0.755803  0.816502  0.532953  1
  Ni  Ni248  1  0.433049  0.558468  0.555263  1
  Ni  Ni249  1  0.110360  0.300516  0.577507  1
  Ni  Ni250  1  0.699320  0.172161  0.588515  1
  Ni  Ni251  1  0.344589  0.687632  0.544056  1
  Ni  Ni252  1  0.021697  0.429340  0.566417  1
  Ni  Ni253  1  0.682815  0.558475  0.555243  1
  Ni  Ni254  1  0.360065  0.300517  0.577462  1
  Ni  Ni255  1  0.005530  0.816505  0.533099  1
  Ni  Ni256  1  0.684123  0.859376  0.572287  1
  Ni  Ni257  1  0.361057  0.601208  0.594576  1
  Ni  Ni258  1  0.006515  0.117346  0.550260  1
  Ni  Ni259  1  0.859369  0.999732  0.560280  1
  Ni  Ni260  1  0.536521  0.741849  0.582651  1
  Ni  Ni261  1  0.182018  0.257584  0.538088  1
  Ni  Ni262  1  0.933049  0.558468  0.555263  1
  Ni  Ni263  1  0.610360  0.300516  0.577507  1
  Ni  Ni264  1  0.255803  0.816502  0.532953  1
  Ni  Ni265  1  0.844589  0.687632  0.544056  1
  Ni  Ni266  1  0.521697  0.429340  0.566417  1
  Ni  Ni267  1  0.199320  0.172161  0.588515  1
  Ni  Ni268  1  0.860065  0.300517  0.577462  1
  Ni  Ni269  1  0.505530  0.816505  0.533099  1
  Ni  Ni270  1  0.182815  0.558475  0.555243  1
  Ni  Ni271  1  0.861057  0.601208  0.594576  1
  Ni  Ni272  1  0.506515  0.117346  0.550260  1
  Ni  Ni273  1  0.184123  0.859376  0.572287  1
  Ni  Ni274  1  0.682018  0.257584  0.538088  1
  Ni  Ni275  1  0.359369  0.999732  0.560280  1
  Ni  Ni276  1  0.036521  0.741849  0.582651  1
  Ni  Ni277  1  0.787592  0.043156  0.599572  1
  Ni  Ni278  1  0.463762  0.785080  0.621980  1
  Ni  Ni279  1  0.142485  0.527392  0.643886  1
  Ni  Ni280  1  0.730044  0.396728  0.655399  1
  Ni  Ni281  1  0.375206  0.912942  0.610924  1
  Ni  Ni282  1  0.052306  0.654747  0.632963  1
  Ni  Ni283  1  0.716529  0.785158  0.621738  1
  Ni  Ni284  1  0.393272  0.527296  0.643958  1
  Ni  Ni285  1  0.037599  0.042271  0.599736  1
  Ni  Ni286  1  0.716584  0.086120  0.638958  1
  Ni  Ni287  1  0.391246  0.828123  0.662436  1
  Ni  Ni288  1  0.038287  0.342990  0.616852  1
  Ni  Ni289  1  0.890791  0.224732  0.626993  1
  Ni  Ni290  1  0.568762  0.966767  0.648600  1
  Ni  Ni291  1  0.214319  0.483980  0.604730  1
  Ni  Ni292  1  0.963762  0.785080  0.621980  1
  Ni  Ni293  1  0.642485  0.527392  0.643886  1
  Ni  Ni294  1  0.287592  0.043156  0.599572  1
  Ni  Ni295  1  0.875206  0.912942  0.610924  1
  Ni  Ni296  1  0.552306  0.654747  0.632963  1
  Ni  Ni297  1  0.230044  0.396728  0.655399  1
  Ni  Ni298  1  0.893272  0.527296  0.643958  1
  Ni  Ni299  1  0.537599  0.042271  0.599736  1
  Ni  Ni300  1  0.216529  0.785158  0.621738  1
  Ni  Ni301  1  0.891246  0.828123  0.662436  1
  Ni  Ni302  1  0.538287  0.342990  0.616852  1
  Ni  Ni303  1  0.216584  0.086120  0.638958  1
  Ni  Ni304  1  0.714319  0.483980  0.604730  1
  Ni  Ni305  1  0.390791  0.224732  0.626993  1
  Ni  Ni306  1  0.068762  0.966767  0.648600  1
  Ni  Ni307  1  0.820832  0.270012  0.666523  1
  Ni  Ni308  1  0.498528  0.008428  0.687464  1
  Ni  Ni309  1  0.173374  0.740984  0.710919  1
  Ni  Ni310  1  0.765900  0.608093  0.721575  1
  Ni  Ni311  1  0.408488  0.137618  0.678276  1
  Ni  Ni312  1  0.087656  0.883155  0.698783  1
  Ni  Ni313  1  0.745942  0.009413  0.687565  1
  Ni  Ni314  1  0.422250  0.746868  0.711513  1
  Ni  Ni315  1  0.069111  0.269198  0.665968  1
  Ni  Ni316  1  0.745039  0.309198  0.705947  1
  Ni  Ni317  1  0.434089  0.048569  0.726669  1
  Ni  Ni318  1  0.069196  0.572377  0.682630  1
  Ni  Ni319  1  0.926501  0.457917  0.694227  1
  Ni  Ni320  1  0.599671  0.181798  0.716553  1
  Ni  Ni321  1  0.246687  0.708234  0.671636  1
  Ni  Ni322  1  0.998528  0.008428  0.687464  1
  Ni  Ni323  1  0.673374  0.740984  0.710919  1
  Ni  Ni324  1  0.320832  0.270012  0.666523  1
  Ni  Ni325  1  0.908488  0.137618  0.678276  1
  Ni  Ni326  1  0.587656  0.883155  0.698783  1
  Ni  Ni327  1  0.265900  0.608093  0.721575  1
  Ni  Ni328  1  0.922250  0.746868  0.711513  1
  Ni  Ni329  1  0.569111  0.269198  0.665968  1
  Ni  Ni330  1  0.245942  0.009413  0.687565  1
  Ni  Ni331  1  0.934089  0.048569  0.726669  1
  Ni  Ni332  1  0.569196  0.572377  0.682630  1
  Ni  Ni333  1  0.245039  0.309198  0.705947  1
  Ni  Ni334  1  0.746687  0.708234  0.671636  1
  Ni  Ni335  1  0.426501  0.457917  0.694227  1
  Ni  Ni336  1  0.099671  0.181798  0.716553  1
