# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96548974
_cell_length_b   23.02551419
_cell_length_c   48.83706327
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al108 Ni180'
_cell_volume   7832.6827192
_cell_formula_units_Z   36
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  0.504717  0.374773  0.292136  1
  Al  Al2  1  0.504717  0.729011  0.315238  1
  Al  Al3  1  0.504717  0.079449  0.345261  1
  Al  Al4  1  0.504717  0.484292  0.319833  1
  Al  Al5  1  0.504717  0.832488  0.345116  1
  Al  Al6  1  0.504717  0.128804  0.294285  1
  Al  Al7  1  0.504717  0.324732  0.346007  1
  Al  Al8  1  0.504717  0.617504  0.296660  1
  Al  Al9  1  0.504717  0.976023  0.322888  1
  Al  Al10  1  0.004717  0.230931  0.319902  1
  Al  Al11  1  0.004717  0.579534  0.345895  1
  Al  Al12  1  0.004717  0.874905  0.292781  1
  Al  Al13  1  0.004717  0.333063  0.345145  1
  Al  Al14  1  0.004717  0.634403  0.295950  1
  Al  Al15  1  0.004717  0.983220  0.320298  1
  Al  Al16  1  0.004717  0.474866  0.323284  1
  Al  Al17  1  0.004717  0.824072  0.346144  1
  Al  Al18  1  0.004717  0.123839  0.295370  1
  Al  Al19  1  0.504717  0.428732  0.369116  1
  Al  Al20  1  0.504717  0.778072  0.392500  1
  Al  Al21  1  0.504717  0.128382  0.416495  1
  Al  Al22  1  0.504717  0.532933  0.392137  1
  Al  Al23  1  0.504717  0.882605  0.415735  1
  Al  Al24  1  0.504717  0.182512  0.368431  1
  Al  Al25  1  0.504717  0.373981  0.417454  1
  Al  Al26  1  0.504717  0.674600  0.368851  1
  Al  Al27  1  0.504717  0.024043  0.393361  1
  Al  Al28  1  0.004717  0.278407  0.392854  1
  Al  Al29  1  0.004717  0.628629  0.416289  1
  Al  Al30  1  0.004717  0.928394  0.369095  1
  Al  Al31  1  0.004717  0.382759  0.415972  1
  Al  Al32  1  0.004717  0.683265  0.367853  1
  Al  Al33  1  0.004717  0.032905  0.391973  1
  Al  Al34  1  0.004717  0.524153  0.393513  1
  Al  Al35  1  0.004717  0.873736  0.417230  1
  Al  Al36  1  0.004717  0.174465  0.369210  1
  Al  Al37  1  0.504717  0.478518  0.440486  1
  Al  Al38  1  0.504717  0.828317  0.464177  1
  Al  Al39  1  0.504717  0.178445  0.488119  1
  Al  Al40  1  0.504717  0.582948  0.463462  1
  Al  Al41  1  0.504717  0.932749  0.487293  1
  Al  Al42  1  0.504717  0.232737  0.439720  1
  Al  Al43  1  0.504717  0.424087  0.488868  1
  Al  Al44  1  0.504717  0.724058  0.440960  1
  Al  Al45  1  0.504717  0.074092  0.464893  1
  Al  Al46  1  0.004717  0.328389  0.464362  1
  Al  Al47  1  0.004717  0.678466  0.488006  1
  Al  Al48  1  0.004717  0.978343  0.440343  1
  Al  Al49  1  0.004717  0.432819  0.487438  1
  Al  Al50  1  0.004717  0.732756  0.439471  1
  Al  Al51  1  0.004717  0.082836  0.463470  1
  Al  Al52  1  0.004717  0.574219  0.464903  1
  Al  Al53  1  0.004717  0.923989  0.488714  1
  Al  Al54  1  0.004717  0.224047  0.441175  1
  Al  Al55  1  0.504717  0.528527  0.511912  1
  Al  Al56  1  0.504717  0.878285  0.535710  1
  Al  Al57  1  0.504717  0.228479  0.559861  1
  Al  Al58  1  0.504717  0.632847  0.535062  1
  Al  Al59  1  0.504717  0.982879  0.558693  1
  Al  Al60  1  0.504717  0.282750  0.511352  1
  Al  Al61  1  0.504717  0.474207  0.560312  1
  Al  Al62  1  0.504717  0.773945  0.512627  1
  Al  Al63  1  0.504717  0.124198  0.536508  1
  Al  Al64  1  0.004717  0.378359  0.535868  1
  Al  Al65  1  0.004717  0.728347  0.559717  1
  Al  Al66  1  0.004717  0.028497  0.511834  1
  Al  Al67  1  0.004717  0.482887  0.558854  1
  Al  Al68  1  0.004717  0.782687  0.511189  1
  Al  Al69  1  0.004717  0.132925  0.535098  1
  Al  Al70  1  0.004717  0.624142  0.536480  1
  Al  Al71  1  0.004717  0.974190  0.560117  1
  Al  Al72  1  0.004717  0.273991  0.512782  1
  Al  Al73  1  0.504717  0.578641  0.583547  1
  Al  Al74  1  0.504717  0.928377  0.606705  1
  Al  Al75  1  0.504717  0.277781  0.631513  1
  Al  Al76  1  0.504717  0.682995  0.606810  1
  Al  Al77  1  0.504717  0.032489  0.630335  1
  Al  Al78  1  0.504717  0.332709  0.582845  1
  Al  Al79  1  0.504717  0.523755  0.631512  1
  Al  Al80  1  0.504717  0.823548  0.584368  1
  Al  Al81  1  0.504717  0.174399  0.608376  1
  Al  Al82  1  0.004717  0.428642  0.606968  1
  Al  Al83  1  0.004717  0.777510  0.631471  1
  Al  Al84  1  0.004717  0.078859  0.583388  1
  Al  Al85  1  0.004717  0.532360  0.630622  1
  Al  Al86  1  0.004717  0.832494  0.582652  1
  Al  Al87  1  0.004717  0.183126  0.606999  1
  Al  Al88  1  0.004717  0.674353  0.608215  1
  Al  Al89  1  0.004717  0.024504  0.631067  1
  Al  Al90  1  0.004717  0.323702  0.584537  1
  Al  Al91  1  0.504717  0.627493  0.653848  1
  Al  Al92  1  0.504717  0.975633  0.679334  1
  Al  Al93  1  0.504717  0.333031  0.704855  1
  Al  Al94  1  0.504717  0.732187  0.681590  1
  Al  Al95  1  0.504717  0.080479  0.704242  1
  Al  Al96  1  0.504717  0.382580  0.653090  1
  Al  Al97  1  0.504717  0.570491  0.703500  1
  Al  Al98  1  0.504717  0.874545  0.653988  1
  Al  Al99  1  0.504717  0.224081  0.682400  1
  Al  Al100  1  0.004717  0.477057  0.683818  1
  Al  Al101  1  0.004717  0.833137  0.705398  1
  Al  Al102  1  0.004717  0.127728  0.654432  1
  Al  Al103  1  0.004717  0.585285  0.702902  1
  Al  Al104  1  0.004717  0.882046  0.653277  1
  Al  Al105  1  0.004717  0.231307  0.681596  1
  Al  Al106  1  0.004717  0.723255  0.682532  1
  Al  Al107  1  0.004717  0.076365  0.705010  1
  Al  Al108  1  0.004717  0.375172  0.654049  1
  Ni  Ni109  1  0.004717  0.378435  0.300070  1
  Ni  Ni110  1  0.004717  0.729582  0.321653  1
  Ni  Ni111  1  0.004717  0.079351  0.344741  1
  Ni  Ni112  1  0.244100  0.453685  0.288958  1
  Ni  Ni113  1  0.252620  0.805284  0.310965  1
  Ni  Ni114  1  0.253716  0.153352  0.332870  1
  Ni  Ni115  1  0.257624  0.304875  0.310068  1
  Ni  Ni116  1  0.257380  0.653763  0.332634  1
  Ni  Ni117  1  0.263015  0.953621  0.289008  1
  Ni  Ni118  1  0.741354  0.403140  0.333360  1
  Ni  Ni119  1  0.742636  0.752753  0.355953  1
  Ni  Ni120  1  0.746524  0.053405  0.310249  1
  Ni  Ni121  1  0.268081  0.403140  0.333360  1
  Ni  Ni122  1  0.266799  0.752753  0.355953  1
  Ni  Ni123  1  0.262911  0.053405  0.310249  1
  Ni  Ni124  1  0.504717  0.229130  0.322868  1
  Ni  Ni125  1  0.504717  0.578581  0.345186  1
  Ni  Ni126  1  0.504717  0.879344  0.300406  1
  Ni  Ni127  1  0.751811  0.304875  0.310068  1
  Ni  Ni128  1  0.752055  0.653763  0.332634  1
  Ni  Ni129  1  0.746419  0.953621  0.289008  1
  Ni  Ni130  1  0.765335  0.453685  0.288958  1
  Ni  Ni131  1  0.756815  0.805284  0.310965  1
  Ni  Ni132  1  0.755719  0.153352  0.332870  1
  Ni  Ni133  1  0.266279  0.208039  0.289057  1
  Ni  Ni134  1  0.236072  0.552778  0.310532  1
  Ni  Ni135  1  0.242503  0.902882  0.333457  1
  Ni  Ni136  1  0.743156  0.208039  0.289057  1
  Ni  Ni137  1  0.773362  0.552778  0.310532  1
  Ni  Ni138  1  0.766932  0.902882  0.333457  1
  Ni  Ni139  1  0.004717  0.428310  0.369033  1
  Ni  Ni140  1  0.004717  0.777962  0.392389  1
  Ni  Ni141  1  0.004717  0.128533  0.416475  1
  Ni  Ni142  1  0.256398  0.503496  0.357180  1
  Ni  Ni143  1  0.254426  0.852967  0.380727  1
  Ni  Ni144  1  0.254196  0.203426  0.404617  1
  Ni  Ni145  1  0.255474  0.353405  0.380958  1
  Ni  Ni146  1  0.255204  0.703501  0.404253  1
  Ni  Ni147  1  0.252959  0.003579  0.357067  1
  Ni  Ni148  1  0.748226  0.453454  0.404806  1
  Ni  Ni149  1  0.747887  0.803246  0.428361  1
  Ni  Ni150  1  0.749275  0.103597  0.380670  1
  Ni  Ni151  1  0.261209  0.453454  0.404806  1
  Ni  Ni152  1  0.261548  0.803246  0.428361  1
  Ni  Ni153  1  0.260160  0.103597  0.380670  1
  Ni  Ni154  1  0.504717  0.278215  0.392758  1
  Ni  Ni155  1  0.504717  0.628656  0.416417  1
  Ni  Ni156  1  0.504717  0.928311  0.368708  1
  Ni  Ni157  1  0.753961  0.353405  0.380958  1
  Ni  Ni158  1  0.754231  0.703501  0.404253  1
  Ni  Ni159  1  0.756476  0.003579  0.357067  1
  Ni  Ni160  1  0.753037  0.503496  0.357180  1
  Ni  Ni161  1  0.755009  0.852967  0.380727  1
  Ni  Ni162  1  0.755239  0.203426  0.404617  1
  Ni  Ni163  1  0.246532  0.253393  0.356908  1
  Ni  Ni164  1  0.249889  0.603960  0.380615  1
  Ni  Ni165  1  0.248431  0.953293  0.404645  1
  Ni  Ni166  1  0.762903  0.253393  0.356908  1
  Ni  Ni167  1  0.759546  0.603960  0.380615  1
  Ni  Ni168  1  0.761004  0.953293  0.404645  1
  Ni  Ni169  1  0.004717  0.478501  0.440477  1
  Ni  Ni170  1  0.004717  0.828285  0.464180  1
  Ni  Ni171  1  0.004717  0.178440  0.488130  1
  Ni  Ni172  1  0.254639  0.553632  0.428446  1
  Ni  Ni173  1  0.254776  0.903302  0.452262  1
  Ni  Ni174  1  0.254737  0.253395  0.476258  1
  Ni  Ni175  1  0.254690  0.403426  0.452439  1
  Ni  Ni176  1  0.254687  0.753366  0.476085  1
  Ni  Ni177  1  0.254672  0.053439  0.428416  1
  Ni  Ni178  1  0.748214  0.503534  0.476180  1
  Ni  Ni179  1  0.748066  0.853316  0.499953  1
  Ni  Ni180  1  0.748016  0.153441  0.452303  1
  Ni  Ni181  1  0.261220  0.503534  0.476180  1
  Ni  Ni182  1  0.261369  0.853316  0.499953  1
  Ni  Ni183  1  0.261419  0.153441  0.452303  1
  Ni  Ni184  1  0.504717  0.328364  0.464375  1
  Ni  Ni185  1  0.504717  0.678464  0.488014  1
  Ni  Ni186  1  0.504717  0.978378  0.440348  1
  Ni  Ni187  1  0.754745  0.403426  0.452439  1
  Ni  Ni188  1  0.754748  0.753366  0.476085  1
  Ni  Ni189  1  0.754763  0.053439  0.428416  1
  Ni  Ni190  1  0.754796  0.553632  0.428446  1
  Ni  Ni191  1  0.754659  0.903302  0.452262  1
  Ni  Ni192  1  0.754698  0.253395  0.476258  1
  Ni  Ni193  1  0.248131  0.303374  0.428596  1
  Ni  Ni194  1  0.247902  0.653547  0.452164  1
  Ni  Ni195  1  0.248101  0.003428  0.476085  1
  Ni  Ni196  1  0.761304  0.303374  0.428596  1
  Ni  Ni197  1  0.761533  0.653547  0.452164  1
  Ni  Ni198  1  0.761334  0.003428  0.476085  1
  Ni  Ni199  1  0.004717  0.528538  0.511921  1
  Ni  Ni200  1  0.004717  0.878320  0.535658  1
  Ni  Ni201  1  0.004717  0.228372  0.559824  1
  Ni  Ni202  1  0.254728  0.603527  0.499962  1
  Ni  Ni203  1  0.254733  0.953418  0.523728  1
  Ni  Ni204  1  0.254541  0.303338  0.547867  1
  Ni  Ni205  1  0.254722  0.453475  0.523871  1
  Ni  Ni206  1  0.254893  0.803243  0.547703  1
  Ni  Ni207  1  0.254710  0.103498  0.499978  1
  Ni  Ni208  1  0.747957  0.553556  0.547694  1
  Ni  Ni209  1  0.748568  0.903254  0.571321  1
  Ni  Ni210  1  0.747862  0.203454  0.523966  1
  Ni  Ni211  1  0.261478  0.553556  0.547694  1
  Ni  Ni212  1  0.260867  0.903254  0.571321  1
  Ni  Ni213  1  0.261573  0.203454  0.523966  1
  Ni  Ni214  1  0.504717  0.378400  0.535829  1
  Ni  Ni215  1  0.504717  0.728289  0.559683  1
  Ni  Ni216  1  0.504717  0.028514  0.511835  1
  Ni  Ni217  1  0.754713  0.453475  0.523871  1
  Ni  Ni218  1  0.754542  0.803243  0.547703  1
  Ni  Ni219  1  0.754724  0.103498  0.499978  1
  Ni  Ni220  1  0.754707  0.603527  0.499962  1
  Ni  Ni221  1  0.754702  0.953418  0.523728  1
  Ni  Ni222  1  0.754894  0.303338  0.547867  1
  Ni  Ni223  1  0.248095  0.353385  0.500121  1
  Ni  Ni224  1  0.247940  0.703395  0.523851  1
  Ni  Ni225  1  0.248051  0.053618  0.547598  1
  Ni  Ni226  1  0.761340  0.353385  0.500121  1
  Ni  Ni227  1  0.761495  0.703395  0.523851  1
  Ni  Ni228  1  0.761383  0.053618  0.547598  1
  Ni  Ni229  1  0.004717  0.578622  0.583432  1
  Ni  Ni230  1  0.004717  0.928461  0.606895  1
  Ni  Ni231  1  0.004717  0.277592  0.632484  1
  Ni  Ni232  1  0.254672  0.653464  0.571628  1
  Ni  Ni233  1  0.255177  0.003657  0.595058  1
  Ni  Ni234  1  0.254752  0.353099  0.619260  1
  Ni  Ni235  1  0.254208  0.503590  0.595345  1
  Ni  Ni236  1  0.254235  0.852695  0.619074  1
  Ni  Ni237  1  0.254855  0.153622  0.571685  1
  Ni  Ni238  1  0.749974  0.603364  0.619304  1
  Ni  Ni239  1  0.747220  0.953539  0.642395  1
  Ni  Ni240  1  0.748435  0.253324  0.595812  1
  Ni  Ni241  1  0.259461  0.603364  0.619304  1
  Ni  Ni242  1  0.262215  0.953539  0.642395  1
  Ni  Ni243  1  0.261000  0.253324  0.595812  1
  Ni  Ni244  1  0.504717  0.428699  0.607186  1
  Ni  Ni245  1  0.504717  0.777431  0.632304  1
  Ni  Ni246  1  0.504717  0.078711  0.583429  1
  Ni  Ni247  1  0.755227  0.503590  0.595345  1
  Ni  Ni248  1  0.755200  0.852695  0.619074  1
  Ni  Ni249  1  0.754580  0.153622  0.571685  1
  Ni  Ni250  1  0.754763  0.653464  0.571628  1
  Ni  Ni251  1  0.754258  0.003657  0.595058  1
  Ni  Ni252  1  0.754683  0.353099  0.619260  1
  Ni  Ni253  1  0.248416  0.403373  0.571506  1
  Ni  Ni254  1  0.248316  0.753180  0.595660  1
  Ni  Ni255  1  0.249313  0.103721  0.619275  1
  Ni  Ni256  1  0.761019  0.403373  0.571506  1
  Ni  Ni257  1  0.761119  0.753180  0.595660  1
  Ni  Ni258  1  0.760122  0.103721  0.619275  1
  Ni  Ni259  1  0.004717  0.628498  0.654576  1
  Ni  Ni260  1  0.004717  0.977971  0.676560  1
  Ni  Ni261  1  0.004717  0.331718  0.698661  1
  Ni  Ni262  1  0.254997  0.703797  0.643815  1
  Ni  Ni263  1  0.255963  0.052913  0.666520  1
  Ni  Ni264  1  0.258684  0.403014  0.688102  1
  Ni  Ni265  1  0.251985  0.552370  0.666669  1
  Ni  Ni266  1  0.249953  0.903211  0.688933  1
  Ni  Ni267  1  0.255047  0.203757  0.643973  1
  Ni  Ni268  1  0.742261  0.650788  0.688166  1
  Ni  Ni269  1  0.764684  0.998252  0.710569  1
  Ni  Ni270  1  0.744983  0.303476  0.666931  1
  Ni  Ni271  1  0.267173  0.650788  0.688166  1
  Ni  Ni272  1  0.244751  0.998252  0.710569  1
  Ni  Ni273  1  0.264451  0.303476  0.666931  1
  Ni  Ni274  1  0.504717  0.477107  0.677556  1
  Ni  Ni275  1  0.504717  0.832959  0.699074  1
  Ni  Ni276  1  0.504717  0.127730  0.654881  1
  Ni  Ni277  1  0.757450  0.552370  0.666669  1
  Ni  Ni278  1  0.759482  0.903211  0.688933  1
  Ni  Ni279  1  0.754388  0.203757  0.643973  1
  Ni  Ni280  1  0.754438  0.703797  0.643815  1
  Ni  Ni281  1  0.753472  0.052913  0.666520  1
  Ni  Ni282  1  0.750751  0.403014  0.688102  1
  Ni  Ni283  1  0.243360  0.454071  0.643179  1
  Ni  Ni284  1  0.244532  0.803110  0.667018  1
  Ni  Ni285  1  0.250130  0.150292  0.688507  1
  Ni  Ni286  1  0.766075  0.454071  0.643179  1
  Ni  Ni287  1  0.764903  0.803110  0.667018  1
  Ni  Ni288  1  0.759305  0.150292  0.688507  1
