# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.31421178
_cell_length_b   7.28266402
_cell_length_c   47.56484688
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.77896195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5336.19904438
_cell_formula_units_Z   28
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  0.539953  0.670072  0.318962  1
  Al  Al2  1  0.057194  0.984648  0.281537  1
  Al  Al3  1  0.690644  0.428075  0.294464  1
  Al  Al4  1  0.168873  0.074831  0.327837  1
  Al  Al5  1  0.427845  0.614996  0.275082  1
  Al  Al6  1  0.908730  0.266730  0.308761  1
  Al  Al7  1  0.321098  0.157533  0.266798  1
  Al  Al8  1  0.797600  0.852686  0.297620  1
  Al  Al9  1  0.427961  0.256629  0.309356  1
  Al  Al10  1  0.959057  0.592680  0.276874  1
  Al  Al11  1  0.645703  0.095845  0.325678  1
  Al  Al12  1  0.163698  0.446495  0.290838  1
  Al  Al13  1  0.494316  0.974396  0.384461  1
  Al  Al14  1  0.015592  0.323124  0.351239  1
  Al  Al15  1  0.647654  0.729127  0.359633  1
  Al  Al16  1  0.125181  0.377895  0.393471  1
  Al  Al17  1  0.385489  0.919889  0.342841  1
  Al  Al18  1  0.864096  0.570491  0.374609  1
  Al  Al19  1  0.276810  0.498051  0.334418  1
  Al  Al20  1  0.755507  0.145229  0.368413  1
  Al  Al21  1  0.386048  0.553409  0.376744  1
  Al  Al22  1  0.907853  0.901116  0.344344  1
  Al  Al23  1  0.603654  0.393938  0.392221  1
  Al  Al24  1  0.125348  0.743850  0.358568  1
  Al  Al25  1  0.450952  0.275174  0.451047  1
  Al  Al26  1  0.973190  0.623578  0.417751  1
  Al  Al27  1  0.602961  0.029326  0.426804  1
  Al  Al28  1  0.081319  0.679650  0.460160  1
  Al  Al29  1  0.342617  0.219757  0.408532  1
  Al  Al30  1  0.820743  0.869729  0.442122  1
  Al  Al31  1  0.233604  0.798736  0.401182  1
  Al  Al32  1  0.712066  0.449946  0.434320  1
  Al  Al33  1  0.342247  0.854112  0.443719  1
  Al  Al34  1  0.863958  0.203860  0.410150  1
  Al  Al35  1  0.559940  0.695383  0.458619  1
  Al  Al36  1  0.081408  0.045093  0.425366  1
  Al  Al37  1  0.407438  0.575600  0.517875  1
  Al  Al38  1  0.929110  0.925192  0.484443  1
  Al  Al39  1  0.559534  0.329909  0.493635  1
  Al  Al40  1  0.037471  0.980837  0.526744  1
  Al  Al41  1  0.298887  0.520696  0.475329  1
  Al  Al42  1  0.776895  0.171032  0.508700  1
  Al  Al43  1  0.190130  0.099869  0.467861  1
  Al  Al44  1  0.668164  0.750960  0.501020  1
  Al  Al45  1  0.298527  0.155382  0.510248  1
  Al  Al46  1  0.820350  0.505117  0.476651  1
  Al  Al47  1  0.516012  0.996433  0.525431  1
  Al  Al48  1  0.037910  0.345714  0.492066  1
  Al  Al49  1  0.363573  0.876975  0.584592  1
  Al  Al50  1  0.885179  0.226841  0.551014  1
  Al  Al51  1  0.515766  0.631269  0.560210  1
  Al  Al52  1  0.993744  0.281151  0.593826  1
  Al  Al53  1  0.255289  0.821445  0.542068  1
  Al  Al54  1  0.733274  0.472243  0.575257  1
  Al  Al55  1  0.146306  0.400734  0.534550  1
  Al  Al56  1  0.624499  0.050986  0.567982  1
  Al  Al57  1  0.254776  0.456530  0.576779  1
  Al  Al58  1  0.776632  0.805532  0.543652  1
  Al  Al59  1  0.472509  0.297315  0.592207  1
  Al  Al60  1  0.994260  0.646626  0.558690  1
  Al  Al61  1  0.319809  0.180203  0.650653  1
  Al  Al62  1  0.842198  0.526479  0.617890  1
  Al  Al63  1  0.472127  0.932012  0.627230  1
  Al  Al64  1  0.951362  0.578817  0.660177  1
  Al  Al65  1  0.211263  0.122650  0.609018  1
  Al  Al66  1  0.689351  0.772201  0.642482  1
  Al  Al67  1  0.102574  0.703565  0.600689  1
  Al  Al68  1  0.580972  0.353743  0.634285  1
  Al  Al69  1  0.211515  0.757002  0.643359  1
  Al  Al70  1  0.732834  0.106768  0.610181  1
  Al  Al71  1  0.428861  0.598923  0.658503  1
  Al  Al72  1  0.950245  0.948374  0.625039  1
  Al  Al73  1  0.276502  0.524386  0.720068  1
  Al  Al74  1  0.798771  0.826871  0.683586  1
  Al  Al75  1  0.427222  0.235784  0.693818  1
  Al  Al76  1  0.908094  0.888994  0.726246  1
  Al  Al77  1  0.166472  0.426123  0.674202  1
  Al  Al78  1  0.645478  0.072527  0.708179  1
  Al  Al79  1  0.059450  0.006657  0.667449  1
  Al  Al80  1  0.538204  0.660869  0.702494  1
  Al  Al81  1  0.175475  0.048069  0.711588  1
  Al  Al82  1  0.690340  0.406084  0.676142  1
  Al  Al83  1  0.376873  0.908599  0.724830  1
  Al  Al84  1  0.907507  0.244606  0.692878  1
  Ni  Ni85  1  0.554236  0.030758  0.284716  1
  Ni  Ni86  1  0.040672  0.670864  0.317850  1
  Ni  Ni87  1  0.431718  0.926286  0.294658  1
  Ni  Ni88  1  0.907532  0.589763  0.325192  1
  Ni  Ni89  1  0.669185  0.766444  0.308007  1
  Ni  Ni90  1  0.183477  0.098603  0.277525  1
  Ni  Ni91  1  0.570115  0.684999  0.270390  1
  Ni  Ni92  1  0.049177  0.315486  0.303022  1
  Ni  Ni93  1  0.550761  0.367513  0.298592  1
  Ni  Ni94  1  0.028736  0.012265  0.332309  1
  Ni  Ni95  1  0.300187  0.850492  0.301115  1
  Ni  Ni96  1  0.819515  0.193339  0.270198  1
  Ni  Ni97  1  0.683961  0.116236  0.276417  1
  Ni  Ni98  1  0.171359  0.761775  0.309085  1
  Ni  Ni99  1  0.407564  0.587240  0.325953  1
  Ni  Ni100  1  0.927059  0.928698  0.294905  1
  Ni  Ni101  1  0.304139  0.504924  0.285334  1
  Ni  Ni102  1  0.786861  0.154092  0.320338  1
  Ni  Ni103  1  0.287972  0.190001  0.315996  1
  Ni  Ni104  1  0.812161  0.535315  0.282594  1
  Ni  Ni105  1  0.516310  0.326058  0.350714  1
  Ni  Ni106  1  0.994773  0.974149  0.384328  1
  Ni  Ni107  1  0.386249  0.237816  0.358979  1
  Ni  Ni108  1  0.864626  0.884654  0.393050  1
  Ni  Ni109  1  0.624372  0.062179  0.375999  1
  Ni  Ni110  1  0.147101  0.408129  0.342651  1
  Ni  Ni111  1  0.525667  0.984569  0.336106  1
  Ni  Ni112  1  0.005279  0.631890  0.369156  1
  Ni  Ni113  1  0.506811  0.663523  0.366759  1
  Ni  Ni114  1  0.984308  0.314573  0.399573  1
  Ni  Ni115  1  0.256088  0.148576  0.367892  1
  Ni  Ni116  1  0.777297  0.499535  0.334166  1
  Ni  Ni117  1  0.647872  0.407881  0.343350  1
  Ni  Ni118  1  0.125036  0.060680  0.376315  1
  Ni  Ni119  1  0.364084  0.885152  0.393186  1
  Ni  Ni120  1  0.885442  0.235338  0.359369  1
  Ni  Ni121  1  0.265989  0.806669  0.352705  1
  Ni  Ni122  1  0.743889  0.459025  0.385702  1
  Ni  Ni123  1  0.245558  0.489116  0.382900  1
  Ni  Ni124  1  0.767875  0.839800  0.348169  1
  Ni  Ni125  1  0.473268  0.623750  0.417956  1
  Ni  Ni126  1  0.950678  0.275657  0.450970  1
  Ni  Ni127  1  0.342475  0.537301  0.426042  1
  Ni  Ni128  1  0.820439  0.187275  0.459458  1
  Ni  Ni129  1  0.581648  0.361513  0.442935  1
  Ni  Ni130  1  0.103261  0.711839  0.409349  1
  Ni  Ni131  1  0.482751  0.284634  0.402418  1
  Ni  Ni132  1  0.960948  0.934491  0.435870  1
  Ni  Ni133  1  0.462778  0.964762  0.433012  1
  Ni  Ni134  1  0.941109  0.614965  0.466315  1
  Ni  Ni135  1  0.211955  0.449837  0.434385  1
  Ni  Ni136  1  0.733811  0.800789  0.400539  1
  Ni  Ni137  1  0.603713  0.712527  0.409207  1
  Ni  Ni138  1  0.081581  0.361879  0.442803  1
  Ni  Ni139  1  0.320534  0.187709  0.459418  1
  Ni  Ni140  1  0.842277  0.538553  0.425667  1
  Ni  Ni141  1  0.221982  0.109101  0.419319  1
  Ni  Ni142  1  0.700082  0.760154  0.452350  1
  Ni  Ni143  1  0.201868  0.790000  0.449672  1
  Ni  Ni144  1  0.723698  0.138868  0.416634  1
  Ni  Ni145  1  0.429120  0.925470  0.484483  1
  Ni  Ni146  1  0.907425  0.575377  0.517816  1
  Ni  Ni147  1  0.298773  0.837668  0.492884  1
  Ni  Ni148  1  0.776787  0.489030  0.525974  1
  Ni  Ni149  1  0.537800  0.663491  0.509421  1
  Ni  Ni150  1  0.059426  0.013208  0.476039  1
  Ni  Ni151  1  0.439312  0.584831  0.469328  1
  Ni  Ni152  1  0.917123  0.235825  0.502464  1
  Ni  Ni153  1  0.419176  0.265725  0.499656  1
  Ni  Ni154  1  0.897218  0.916021  0.532979  1
  Ni  Ni155  1  0.168171  0.750971  0.501034  1
  Ni  Ni156  1  0.690083  0.099268  0.467941  1
  Ni  Ni157  1  0.559458  0.012951  0.476104  1
  Ni  Ni158  1  0.037806  0.663085  0.509425  1
  Ni  Ni159  1  0.276818  0.488691  0.526066  1
  Ni  Ni160  1  0.798755  0.837321  0.492877  1
  Ni  Ni161  1  0.178218  0.410337  0.485921  1
  Ni  Ni162  1  0.656320  0.060512  0.519375  1
  Ni  Ni163  1  0.158244  0.090751  0.516396  1
  Ni  Ni164  1  0.680137  0.440426  0.482924  1
  Ni  Ni165  1  0.385476  0.226445  0.551134  1
  Ni  Ni166  1  0.863558  0.876410  0.584402  1
  Ni  Ni167  1  0.254946  0.138658  0.559583  1
  Ni  Ni168  1  0.733042  0.788405  0.593017  1
  Ni  Ni169  1  0.493998  0.964079  0.576293  1
  Ni  Ni170  1  0.015855  0.313070  0.542919  1
  Ni  Ni171  1  0.395446  0.886078  0.535981  1
  Ni  Ni172  1  0.873684  0.536136  0.569305  1
  Ni  Ni173  1  0.375571  0.566457  0.566447  1
  Ni  Ni174  1  0.853350  0.217261  0.599607  1
  Ni  Ni175  1  0.124598  0.051212  0.567857  1
  Ni  Ni176  1  0.646391  0.401366  0.534403  1
  Ni  Ni177  1  0.516022  0.313441  0.542895  1
  Ni  Ni178  1  0.993800  0.965262  0.575886  1
  Ni  Ni179  1  0.233462  0.789238  0.592800  1
  Ni  Ni180  1  0.754866  0.138930  0.559436  1
  Ni  Ni181  1  0.134543  0.711612  0.552355  1
  Ni  Ni182  1  0.612703  0.362028  0.585827  1
  Ni  Ni183  1  0.114324  0.391293  0.583213  1
  Ni  Ni184  1  0.636308  0.741520  0.549684  1
  Ni  Ni185  1  0.341797  0.526491  0.618010  1
  Ni  Ni186  1  0.819172  0.177018  0.651151  1
  Ni  Ni187  1  0.210536  0.441575  0.625746  1
  Ni  Ni188  1  0.689066  0.090284  0.659244  1
  Ni  Ni189  1  0.450768  0.265057  0.643044  1
  Ni  Ni190  1  0.972690  0.613968  0.609461  1
  Ni  Ni191  1  0.351858  0.187240  0.602467  1
  Ni  Ni192  1  0.830243  0.836628  0.635666  1
  Ni  Ni193  1  0.331701  0.868294  0.633236  1
  Ni  Ni194  1  0.810940  0.516330  0.666218  1
  Ni  Ni195  1  0.080155  0.349330  0.635141  1
  Ni  Ni196  1  0.602461  0.702127  0.601319  1
  Ni  Ni197  1  0.472089  0.615409  0.609464  1
  Ni  Ni198  1  0.949559  0.263107  0.643310  1
  Ni  Ni199  1  0.190202  0.089407  0.660018  1
  Ni  Ni200  1  0.711553  0.440577  0.625926  1
  Ni  Ni201  1  0.090934  0.011841  0.619197  1
  Ni  Ni202  1  0.568661  0.662502  0.653147  1
  Ni  Ni203  1  0.070173  0.696006  0.648968  1
  Ni  Ni204  1  0.592670  0.042022  0.616603  1
  Ni  Ni205  1  0.298288  0.823778  0.684686  1
  Ni  Ni206  1  0.779949  0.470275  0.717266  1
  Ni  Ni207  1  0.165215  0.741789  0.691966  1
  Ni  Ni208  1  0.647142  0.389501  0.724875  1
  Ni  Ni209  1  0.413725  0.562739  0.709135  1
  Ni  Ni210  1  0.928498  0.918269  0.675366  1
  Ni  Ni211  1  0.307472  0.488339  0.669813  1
  Ni  Ni212  1  0.784313  0.134123  0.703255  1
  Ni  Ni213  1  0.286338  0.187730  0.698995  1
  Ni  Ni214  1  0.766944  0.814100  0.731816  1
  Ni  Ni215  1  0.036196  0.658059  0.699876  1
  Ni  Ni216  1  0.559035  1.001318  0.668238  1
  Ni  Ni217  1  0.427655  0.917045  0.676279  1
  Ni  Ni218  1  0.908372  0.564485  0.709585  1
  Ni  Ni219  1  0.149350  0.401970  0.724291  1
  Ni  Ni220  1  0.668370  0.735884  0.693781  1
  Ni  Ni221  1  0.048038  0.309873  0.688604  1
  Ni  Ni222  1  0.523442  0.971106  0.719744  1
  Ni  Ni223  1  0.033046  0.995195  0.716237  1
  Ni  Ni224  1  0.549344  0.346164  0.682844  1
