# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09355651
_cell_length_b   12.96005096
_cell_length_c   50.79212117
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.05525239
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   6162.85730523
_cell_formula_units_Z   30
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  0.260074  0.600452  0.279708  1
  Al  Al2  1  0.126643  0.892984  0.313920  1
  Al  Al3  1  0.996081  0.163968  0.346188  1
  Al  Al4  1  0.489221  0.422880  0.290912  1
  Al  Al5  1  0.357601  0.701600  0.325204  1
  Al  Al6  1  0.223627  0.979259  0.354452  1
  Al  Al7  1  0.772343  0.347084  0.337825  1
  Al  Al8  1  0.027497  0.799169  0.274060  1
  Al  Al9  1  0.901037  0.072559  0.300658  1
  Al  Al10  1  0.760093  0.603399  0.279992  1
  Al  Al11  1  0.625220  0.892566  0.314221  1
  Al  Al12  1  0.498185  0.162786  0.345796  1
  Al  Al13  1  0.988786  0.423252  0.290848  1
  Al  Al14  1  0.857501  0.702438  0.324942  1
  Al  Al15  1  0.723900  0.979290  0.354221  1
  Al  Al16  1  0.272561  0.346657  0.337788  1
  Al  Al17  1  0.523268  0.800788  0.273746  1
  Al  Al18  1  0.400899  0.071947  0.300932  1
  Al  Al19  1  0.866774  0.438418  0.375381  1
  Al  Al20  1  0.734721  0.712430  0.405520  1
  Al  Al21  1  0.603754  0.986523  0.436107  1
  Al  Al22  1  0.092874  0.254284  0.384519  1
  Al  Al23  1  0.960436  0.528604  0.414809  1
  Al  Al24  1  0.829395  0.802720  0.444889  1
  Al  Al25  1  0.377870  0.170506  0.427389  1
  Al  Al26  1  0.642186  0.621830  0.365622  1
  Al  Al27  1  0.509665  0.896371  0.396724  1
  Al  Al28  1  0.366523  0.438330  0.375404  1
  Al  Al29  1  0.234656  0.712472  0.405536  1
  Al  Al30  1  0.103644  0.986540  0.436160  1
  Al  Al31  1  0.592719  0.254133  0.384473  1
  Al  Al32  1  0.460414  0.528476  0.414873  1
  Al  Al33  1  0.329363  0.802717  0.444965  1
  Al  Al34  1  0.877780  0.170506  0.427429  1
  Al  Al35  1  0.141951  0.622158  0.365527  1
  Al  Al36  1  0.009508  0.896355  0.396600  1
  Al  Al37  1  0.471901  0.261365  0.466490  1
  Al  Al38  1  0.340193  0.535871  0.496774  1
  Al  Al39  1  0.208743  0.810076  0.527055  1
  Al  Al40  1  0.697718  0.077344  0.475316  1
  Al  Al41  1  0.565946  0.351947  0.505737  1
  Al  Al42  1  0.434376  0.626267  0.536021  1
  Al  Al43  1  0.983022  0.993984  0.518157  1
  Al  Al44  1  0.246132  0.445429  0.457569  1
  Al  Al45  1  0.114579  0.719615  0.487785  1
  Al  Al46  1  0.971908  0.261391  0.466530  1
  Al  Al47  1  0.840232  0.535838  0.496787  1
  Al  Al48  1  0.708723  0.810062  0.527039  1
  Al  Al49  1  0.197706  0.077368  0.475367  1
  Al  Al50  1  0.065976  0.351923  0.505765  1
  Al  Al51  1  0.934366  0.626210  0.536010  1
  Al  Al52  1  0.482974  0.994003  0.518160  1
  Al  Al53  1  0.746180  0.445389  0.457599  1
  Al  Al54  1  0.614610  0.719613  0.487816  1
  Al  Al55  1  0.077008  0.084709  0.557418  1
  Al  Al56  1  0.945458  0.359499  0.587824  1
  Al  Al57  1  0.814074  0.633108  0.618290  1
  Al  Al58  1  0.302774  0.900797  0.566217  1
  Al  Al59  1  0.171313  0.175007  0.596784  1
  Al  Al60  1  0.038954  0.449746  0.627824  1
  Al  Al61  1  0.588061  0.817202  0.609217  1
  Al  Al62  1  0.851145  0.268730  0.548583  1
  Al  Al63  1  0.719949  0.543123  0.578820  1
  Al  Al64  1  0.576935  0.084722  0.557318  1
  Al  Al65  1  0.445438  0.359656  0.587697  1
  Al  Al66  1  0.313831  0.633347  0.618296  1
  Al  Al67  1  0.802849  0.900726  0.566116  1
  Al  Al68  1  0.671275  0.175090  0.596564  1
  Al  Al69  1  0.538517  0.450089  0.627853  1
  Al  Al70  1  0.088507  0.817049  0.609125  1
  Al  Al71  1  0.351068  0.268744  0.548560  1
  Al  Al72  1  0.219900  0.543133  0.578792  1
  Al  Al73  1  0.682037  0.907541  0.647853  1
  Al  Al74  1  0.552755  0.183695  0.676765  1
  Al  Al75  1  0.418790  0.466848  0.713279  1
  Al  Al76  1  0.908414  0.724119  0.656215  1
  Al  Al77  1  0.778491  0.994240  0.688168  1
  Al  Al78  1  0.646076  0.279214  0.720955  1
  Al  Al79  1  0.191655  0.647172  0.702803  1
  Al  Al80  1  0.456499  0.091716  0.639155  1
  Al  Al81  1  0.324397  0.368346  0.668712  1
  Al  Al82  1  0.182536  0.908673  0.648292  1
  Al  Al83  1  0.052572  0.182861  0.677423  1
  Al  Al84  1  0.921585  0.462692  0.713295  1
  Al  Al85  1  0.407791  0.724518  0.656106  1
  Al  Al86  1  0.282302  0.997269  0.691482  1
  Al  Al87  1  0.156116  0.268930  0.720210  1
  Al  Al88  1  0.692721  0.646469  0.702901  1
  Al  Al89  1  0.956610  0.091918  0.639266  1
  Al  Al90  1  0.824555  0.367953  0.669008  1
  Ni  Ni91  1  0.064106  0.523000  0.330193  1
  Ni  Ni92  1  0.272903  0.962657  0.274706  1
  Ni  Ni93  1  0.193889  0.251520  0.301287  1
  Ni  Ni94  1  0.315850  0.524480  0.328481  1
  Ni  Ni95  1  0.181198  0.801808  0.359743  1
  Ni  Ni96  1  0.445051  0.251061  0.301829  1
  Ni  Ni97  1  0.009807  0.611356  0.286990  1
  Ni  Ni98  1  0.879127  0.887841  0.314863  1
  Ni  Ni99  1  0.749847  0.161982  0.344838  1
  Ni  Ni100  1  0.027825  0.344509  0.337893  1
  Ni  Ni101  1  0.291107  0.778060  0.281278  1
  Ni  Ni102  1  0.154379  0.075444  0.309856  1
  Ni  Ni103  1  0.231581  0.428520  0.293764  1
  Ni  Ni104  1  0.104708  0.706609  0.320025  1
  Ni  Ni105  1  0.966243  0.984507  0.351418  1
  Ni  Ni106  1  0.564127  0.522827  0.330266  1
  Ni  Ni107  1  0.433788  0.800271  0.360582  1
  Ni  Ni108  1  0.693271  0.252168  0.301705  1
  Ni  Ni109  1  0.815938  0.524944  0.328514  1
  Ni  Ni110  1  0.681306  0.801713  0.359753  1
  Ni  Ni111  1  0.943914  0.251731  0.301667  1
  Ni  Ni112  1  0.510192  0.611232  0.287019  1
  Ni  Ni113  1  0.381216  0.884971  0.315957  1
  Ni  Ni114  1  0.250508  0.162287  0.344959  1
  Ni  Ni115  1  0.527602  0.344494  0.338035  1
  Ni  Ni116  1  0.791864  0.784214  0.281263  1
  Ni  Ni117  1  0.659039  0.071605  0.308890  1
  Ni  Ni118  1  0.731416  0.429782  0.293757  1
  Ni  Ni119  1  0.604364  0.706464  0.320071  1
  Ni  Ni120  1  0.466062  0.984570  0.351573  1
  Ni  Ni121  1  0.668995  0.349722  0.421240  1
  Ni  Ni122  1  0.933521  0.801269  0.360000  1
  Ni  Ni123  1  0.801225  0.075129  0.390519  1
  Ni  Ni124  1  0.919172  0.349856  0.421052  1
  Ni  Ni125  1  0.787486  0.624213  0.451215  1
  Ni  Ni126  1  0.051034  0.074811  0.390906  1
  Ni  Ni127  1  0.616109  0.438357  0.375953  1
  Ni  Ni128  1  0.485820  0.711673  0.405737  1
  Ni  Ni129  1  0.353662  0.986629  0.436087  1
  Ni  Ni130  1  0.633926  0.167223  0.429092  1
  Ni  Ni131  1  0.897991  0.617580  0.368659  1
  Ni  Ni132  1  0.766012  0.892289  0.398649  1
  Ni  Ni133  1  0.835785  0.257713  0.383140  1
  Ni  Ni134  1  0.704510  0.532134  0.412770  1
  Ni  Ni135  1  0.573219  0.806174  0.443065  1
  Ni  Ni136  1  0.169157  0.349751  0.421188  1
  Ni  Ni137  1  0.037676  0.624120  0.451205  1
  Ni  Ni138  1  0.301203  0.075100  0.390627  1
  Ni  Ni139  1  0.419143  0.349795  0.421019  1
  Ni  Ni140  1  0.287464  0.624241  0.451218  1
  Ni  Ni141  1  0.551254  0.074706  0.390781  1
  Ni  Ni142  1  0.116184  0.438436  0.375878  1
  Ni  Ni143  1  0.985616  0.711994  0.405520  1
  Ni  Ni144  1  0.853683  0.986613  0.436013  1
  Ni  Ni145  1  0.133903  0.167283  0.429147  1
  Ni  Ni146  1  0.398103  0.617100  0.368818  1
  Ni  Ni147  1  0.265933  0.892273  0.398812  1
  Ni  Ni148  1  0.336587  0.257206  0.382988  1
  Ni  Ni149  1  0.204416  0.532281  0.412735  1
  Ni  Ni150  1  0.073163  0.806208  0.443024  1
  Ni  Ni151  1  0.274450  0.172989  0.511982  1
  Ni  Ni152  1  0.537728  0.624010  0.451282  1
  Ni  Ni153  1  0.406192  0.898417  0.481548  1
  Ni  Ni154  1  0.524401  0.173065  0.511928  1
  Ni  Ni155  1  0.392815  0.447579  0.542260  1
  Ni  Ni156  1  0.656244  0.898337  0.481543  1
  Ni  Ni157  1  0.221907  0.261371  0.466559  1
  Ni  Ni158  1  0.090246  0.535799  0.496794  1
  Ni  Ni159  1  0.958747  0.810101  0.526979  1
  Ni  Ni160  1  0.239024  0.990642  0.520001  1
  Ni  Ni161  1  0.502206  0.441858  0.459494  1
  Ni  Ni162  1  0.370717  0.716168  0.489672  1
  Ni  Ni163  1  0.441663  0.080708  0.473528  1
  Ni  Ni164  1  0.309828  0.355404  0.503877  1
  Ni  Ni165  1  0.178267  0.629726  0.534119  1
  Ni  Ni166  1  0.774457  0.172995  0.511956  1
  Ni  Ni167  1  0.642745  0.447510  0.542352  1
  Ni  Ni168  1  0.906193  0.898423  0.481500  1
  Ni  Ni169  1  0.024428  0.173038  0.511984  1
  Ni  Ni170  1  0.892862  0.447493  0.542308  1
  Ni  Ni171  1  0.156225  0.898340  0.481570  1
  Ni  Ni172  1  0.721888  0.261357  0.466567  1
  Ni  Ni173  1  0.590260  0.535788  0.496818  1
  Ni  Ni174  1  0.458693  0.810135  0.527026  1
  Ni  Ni175  1  0.739055  0.990624  0.519938  1
  Ni  Ni176  1  0.002231  0.441900  0.459471  1
  Ni  Ni177  1  0.870705  0.716180  0.489633  1
  Ni  Ni178  1  0.941638  0.080727  0.473545  1
  Ni  Ni179  1  0.809836  0.355389  0.503905  1
  Ni  Ni180  1  0.678264  0.629720  0.534146  1
  Ni  Ni181  1  0.880076  0.996082  0.602703  1
  Ni  Ni182  1  0.142775  0.447440  0.542371  1
  Ni  Ni183  1  0.011438  0.721853  0.572434  1
  Ni  Ni184  1  0.129731  0.996401  0.602841  1
  Ni  Ni185  1  0.997796  0.271094  0.633015  1
  Ni  Ni186  1  0.261519  0.721708  0.572594  1
  Ni  Ni187  1  0.827078  0.084632  0.557343  1
  Ni  Ni188  1  0.694837  0.359699  0.587943  1
  Ni  Ni189  1  0.564286  0.633420  0.617841  1
  Ni  Ni190  1  0.844328  0.814041  0.610633  1
  Ni  Ni191  1  0.107384  0.265196  0.550472  1
  Ni  Ni192  1  0.976017  0.539559  0.580839  1
  Ni  Ni193  1  0.046913  0.904004  0.564431  1
  Ni  Ni194  1  0.914653  0.179038  0.594746  1
  Ni  Ni195  1  0.782719  0.453961  0.625037  1
  Ni  Ni196  1  0.379787  0.996096  0.602863  1
  Ni  Ni197  1  0.246670  0.269927  0.633691  1
  Ni  Ni198  1  0.511371  0.721947  0.572491  1
  Ni  Ni199  1  0.629675  0.996336  0.602637  1
  Ni  Ni200  1  0.497534  0.271422  0.632721  1
  Ni  Ni201  1  0.761369  0.721713  0.572600  1
  Ni  Ni202  1  0.327007  0.084632  0.557414  1
  Ni  Ni203  1  0.195042  0.359364  0.588036  1
  Ni  Ni204  1  0.064319  0.633466  0.617850  1
  Ni  Ni205  1  0.343954  0.814459  0.610798  1
  Ni  Ni206  1  0.607378  0.265237  0.550391  1
  Ni  Ni207  1  0.475922  0.539678  0.580842  1
  Ni  Ni208  1  0.546795  0.903991  0.564443  1
  Ni  Ni209  1  0.414553  0.179080  0.594689  1
  Ni  Ni210  1  0.282591  0.454087  0.624887  1
  Ni  Ni211  1  0.488651  0.818312  0.692213  1
  Ni  Ni212  1  0.746283  0.270918  0.633303  1
  Ni  Ni213  1  0.617036  0.547837  0.663460  1
  Ni  Ni214  1  0.735819  0.819261  0.692589  1
  Ni  Ni215  1  0.593716  0.102151  0.720274  1
  Ni  Ni216  1  0.865372  0.545666  0.665047  1
  Ni  Ni217  1  0.431383  0.908528  0.648660  1
  Ni  Ni218  1  0.302141  0.182056  0.679357  1
  Ni  Ni219  1  0.171170  0.458024  0.706679  1
  Ni  Ni220  1  0.449127  0.640976  0.699982  1
  Ni  Ni221  1  0.715014  0.086206  0.641193  1
  Ni  Ni222  1  0.576877  0.365608  0.673434  1
  Ni  Ni223  1  0.653605  0.725867  0.655850  1
  Ni  Ni224  1  0.522076  1.001479  0.685448  1
  Ni  Ni225  1  0.393532  0.281579  0.712390  1
  Ni  Ni226  1  0.987408  0.819879  0.692781  1
  Ni  Ni227  1  0.849914  0.099160  0.721015  1
  Ni  Ni228  1  0.117240  0.547615  0.663453  1
  Ni  Ni229  1  0.235028  0.820974  0.692656  1
  Ni  Ni230  1  0.083864  0.100542  0.721368  1
  Ni  Ni231  1  0.364907  0.546359  0.665012  1
  Ni  Ni232  1  0.933025  0.907325  0.648189  1
  Ni  Ni233  1  0.798260  0.184998  0.678393  1
  Ni  Ni234  1  0.670726  0.459463  0.706733  1
  Ni  Ni235  1  0.949764  0.639196  0.700030  1
  Ni  Ni236  1  0.215115  0.086383  0.641736  1
  Ni  Ni237  1  0.078132  0.364630  0.673285  1
  Ni  Ni238  1  0.153318  0.726571  0.655969  1
  Ni  Ni239  1  0.020954  1.001093  0.685430  1
  Ni  Ni240  1  0.888997  0.279303  0.713212  1
