# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59552009
_cell_length_b   24.05615050
_cell_length_c   50.86569007
_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   6846.86132491
_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  0.060745  0.262422  0.309596  1
  Al  Al2  1  0.060745  0.586220  0.279904  1
  Al  Al3  1  0.060745  0.914663  0.255037  1
  Al  Al4  1  0.060745  0.336199  0.263802  1
  Al  Al5  1  0.060745  0.687697  0.315442  1
  Al  Al6  1  0.060745  0.011344  0.291790  1
  Al  Al7  1  0.060745  0.163794  0.277401  1
  Al  Al8  1  0.060745  0.491321  0.251806  1
  Al  Al9  1  0.060745  0.838640  0.304171  1
  Al  Al10  1  0.560745  0.081207  0.244182  1
  Al  Al11  1  0.560745  0.424682  0.297864  1
  Al  Al12  1  0.560745  0.749847  0.267130  1
  Al  Al13  1  0.560745  0.171993  0.276976  1
  Al  Al14  1  0.560745  0.504338  0.252383  1
  Al  Al15  1  0.560745  0.850037  0.303410  1
  Al  Al16  1  0.560745  0.327945  0.264099  1
  Al  Al17  1  0.560745  0.676229  0.316280  1
  Al  Al18  1  0.560745  0.000734  0.292131  1
  Al  Al19  1  0.060745  0.289050  0.386378  1
  Al  Al20  1  0.060745  0.613299  0.359693  1
  Al  Al21  1  0.060745  0.938016  0.335217  1
  Al  Al22  1  0.060745  0.361953  0.341075  1
  Al  Al23  1  0.060745  0.712826  0.391982  1
  Al  Al24  1  0.060745  0.037653  0.367808  1
  Al  Al25  1  0.060745  0.189626  0.354749  1
  Al  Al26  1  0.060745  0.514616  0.329789  1
  Al  Al27  1  0.060745  0.865044  0.380648  1
  Al  Al28  1  0.560745  0.100749  0.323643  1
  Al  Al29  1  0.560745  0.451460  0.374194  1
  Al  Al30  1  0.560745  0.775590  0.347163  1
  Al  Al31  1  0.560745  0.199767  0.353999  1
  Al  Al32  1  0.560745  0.525341  0.328895  1
  Al  Al33  1  0.560745  0.875209  0.379817  1
  Al  Al34  1  0.560745  0.351883  0.341951  1
  Al  Al35  1  0.560745  0.702645  0.392745  1
  Al  Al36  1  0.560745  0.027517  0.368703  1
  Al  Al37  1  0.060745  0.315379  0.463345  1
  Al  Al38  1  0.060745  0.639618  0.436865  1
  Al  Al39  1  0.060745  0.964505  0.412332  1
  Al  Al40  1  0.060745  0.388513  0.418209  1
  Al  Al41  1  0.060745  0.739215  0.468798  1
  Al  Al42  1  0.060745  0.064155  0.444579  1
  Al  Al43  1  0.060745  0.215963  0.431724  1
  Al  Al44  1  0.060745  0.540615  0.406185  1
  Al  Al45  1  0.060745  0.891374  0.457469  1
  Al  Al46  1  0.560745  0.127065  0.400030  1
  Al  Al47  1  0.560745  0.477786  0.451063  1
  Al  Al48  1  0.560745  0.801985  0.424340  1
  Al  Al49  1  0.560745  0.226263  0.430976  1
  Al  Al50  1  0.560745  0.550873  0.405510  1
  Al  Al51  1  0.560745  0.901678  0.456667  1
  Al  Al52  1  0.560745  0.378240  0.418973  1
  Al  Al53  1  0.560745  0.728911  0.469586  1
  Al  Al54  1  0.560745  0.053841  0.445338  1
  Al  Al55  1  0.060745  0.341762  0.540314  1
  Al  Al56  1  0.060745  0.665974  0.513783  1
  Al  Al57  1  0.060745  -0.009091  0.489375  1
  Al  Al58  1  0.060745  0.414874  0.495167  1
  Al  Al59  1  0.060745  0.765541  0.545705  1
  Al  Al60  1  0.060745  0.090467  0.521508  1
  Al  Al61  1  0.060745  0.242173  0.508471  1
  Al  Al62  1  0.060745  0.566749  0.482943  1
  Al  Al63  1  0.060745  0.917768  0.534433  1
  Al  Al64  1  0.560745  0.153253  0.476778  1
  Al  Al65  1  0.560745  0.504239  0.528162  1
  Al  Al66  1  0.560745  0.828416  0.501401  1
  Al  Al67  1  0.560745  0.252505  0.507740  1
  Al  Al68  1  0.560745  0.577073  0.482188  1
  Al  Al69  1  0.560745  0.928019  0.533643  1
  Al  Al70  1  0.560745  0.404570  0.495947  1
  Al  Al71  1  0.560745  0.755315  0.546463  1
  Al  Al72  1  0.560745  0.080216  0.522277  1
  Al  Al73  1  0.060745  0.368409  0.617290  1
  Al  Al74  1  0.060745  0.692178  0.590298  1
  Al  Al75  1  0.060745  0.017203  0.566303  1
  Al  Al76  1  0.060745  0.441187  0.571984  1
  Al  Al77  1  0.060745  0.791777  0.622597  1
  Al  Al78  1  0.060745  0.116901  0.598727  1
  Al  Al79  1  0.060745  0.268407  0.585009  1
  Al  Al80  1  0.060745  0.593053  0.559717  1
  Al  Al81  1  0.060745  0.944159  0.611565  1
  Al  Al82  1  0.560745  0.179443  0.553632  1
  Al  Al83  1  0.560745  0.530908  0.605517  1
  Al  Al84  1  0.560745  0.854710  0.578315  1
  Al  Al85  1  0.560745  0.278674  0.584121  1
  Al  Al86  1  0.560745  0.603245  0.559024  1
  Al  Al87  1  0.560745  0.954327  0.610701  1
  Al  Al88  1  0.560745  0.431043  0.572846  1
  Al  Al89  1  0.560745  0.781500  0.623560  1
  Al  Al90  1  0.560745  0.106708  0.599451  1
  Al  Al91  1  0.060745  0.391471  0.697301  1
  Al  Al92  1  0.060745  0.718094  0.666959  1
  Al  Al93  1  0.060745  0.043421  0.643075  1
  Al  Al94  1  0.060745  0.468136  0.648545  1
  Al  Al95  1  0.060745  0.809592  0.701359  1
  Al  Al96  1  0.060745  0.142643  0.676407  1
  Al  Al97  1  0.060745  0.296537  0.660125  1
  Al  Al98  1  0.060745  0.618591  0.636564  1
  Al  Al99  1  0.060745  0.970668  0.688777  1
  Al  Al100  1  0.560745  0.205968  0.630612  1
  Al  Al101  1  0.560745  0.557321  0.685825  1
  Al  Al102  1  0.560745  0.880457  0.655204  1
  Al  Al103  1  0.560745  0.306372  0.659973  1
  Al  Al104  1  0.560745  0.629633  0.635818  1
  Al  Al105  1  0.560745  0.976477  0.688820  1
  Al  Al106  1  0.560745  0.456734  0.649222  1
  Al  Al107  1  0.560745  0.804991  0.700375  1
  Al  Al108  1  0.560745  0.136108  0.677111  1
  Ni  Ni109  1  0.560745  0.262148  0.309533  1
  Ni  Ni110  1  0.560745  0.586075  0.282836  1
  Ni  Ni111  1  0.560745  0.916286  0.258115  1
  Ni  Ni112  1  0.310168  0.181178  0.315845  1
  Ni  Ni113  1  0.307760  0.505064  0.291653  1
  Ni  Ni114  1  0.311053  0.833586  0.265352  1
  Ni  Ni115  1  0.311726  0.343159  0.302997  1
  Ni  Ni116  1  0.311881  0.668724  0.277463  1
  Ni  Ni117  1  0.307304  -0.000635  0.253161  1
  Ni  Ni118  1  0.297284  0.249620  0.270817  1
  Ni  Ni119  1  0.291563  0.600218  0.320611  1
  Ni  Ni120  1  0.291299  0.924843  0.296229  1
  Ni  Ni121  1  0.824206  0.249620  0.270817  1
  Ni  Ni122  1  0.829928  0.600218  0.320611  1
  Ni  Ni123  1  0.830191  0.924843  0.296229  1
  Ni  Ni124  1  0.060745  0.085001  0.246525  1
  Ni  Ni125  1  0.060745  0.423915  0.297609  1
  Ni  Ni126  1  0.060745  0.750760  0.270375  1
  Ni  Ni127  1  0.809764  0.343159  0.302997  1
  Ni  Ni128  1  0.809610  0.668724  0.277463  1
  Ni  Ni129  1  0.814186  -0.000635  0.253161  1
  Ni  Ni130  1  0.811322  0.181178  0.315845  1
  Ni  Ni131  1  0.813730  0.505064  0.291653  1
  Ni  Ni132  1  0.810437  0.833586  0.265352  1
  Ni  Ni133  1  0.794176  0.086428  0.285508  1
  Ni  Ni134  1  0.793950  0.414996  0.259006  1
  Ni  Ni135  1  0.790730  0.762619  0.308163  1
  Ni  Ni136  1  0.327314  0.086428  0.285508  1
  Ni  Ni137  1  0.327540  0.414996  0.259006  1
  Ni  Ni138  1  0.330760  0.762619  0.308163  1
  Ni  Ni139  1  0.560745  0.289091  0.386382  1
  Ni  Ni140  1  0.560745  0.613253  0.359345  1
  Ni  Ni141  1  0.560745  0.937750  0.334899  1
  Ni  Ni142  1  0.310773  0.207982  0.392876  1
  Ni  Ni143  1  0.311324  0.532645  0.367593  1
  Ni  Ni144  1  0.310368  0.857025  0.341966  1
  Ni  Ni145  1  0.310438  0.370203  0.380058  1
  Ni  Ni146  1  0.310697  0.694669  0.354070  1
  Ni  Ni147  1  0.311937  0.019443  0.330056  1
  Ni  Ni148  1  0.297006  0.275808  0.347926  1
  Ni  Ni149  1  0.297102  0.626496  0.398272  1
  Ni  Ni150  1  0.297136  0.951180  0.373765  1
  Ni  Ni151  1  0.824484  0.275808  0.347926  1
  Ni  Ni152  1  0.824389  0.626496  0.398272  1
  Ni  Ni153  1  0.824354  0.951180  0.373765  1
  Ni  Ni154  1  0.060745  0.100466  0.323430  1
  Ni  Ni155  1  0.060745  0.451621  0.374254  1
  Ni  Ni156  1  0.060745  0.775442  0.346836  1
  Ni  Ni157  1  0.811052  0.370203  0.380058  1
  Ni  Ni158  1  0.810794  0.694669  0.354070  1
  Ni  Ni159  1  0.809554  0.019443  0.330056  1
  Ni  Ni160  1  0.810717  0.207982  0.392876  1
  Ni  Ni161  1  0.810167  0.532645  0.367593  1
  Ni  Ni162  1  0.811122  0.857025  0.341966  1
  Ni  Ni163  1  0.797376  0.113830  0.361776  1
  Ni  Ni164  1  0.797211  0.438487  0.335903  1
  Ni  Ni165  1  0.797114  0.788732  0.385739  1
  Ni  Ni166  1  0.324115  0.113830  0.361776  1
  Ni  Ni167  1  0.324279  0.438487  0.335903  1
  Ni  Ni168  1  0.324376  0.788732  0.385739  1
  Ni  Ni169  1  0.560745  0.315359  0.463338  1
  Ni  Ni170  1  0.560745  0.639605  0.436836  1
  Ni  Ni171  1  0.560745  0.964555  0.412335  1
  Ni  Ni172  1  0.310742  0.234222  0.469744  1
  Ni  Ni173  1  0.310629  0.558774  0.444206  1
  Ni  Ni174  1  0.310826  0.883363  0.418648  1
  Ni  Ni175  1  0.310783  0.396532  0.457077  1
  Ni  Ni176  1  0.310768  0.720873  0.430791  1
  Ni  Ni177  1  0.310489  0.045914  0.406582  1
  Ni  Ni178  1  0.296659  0.302219  0.424864  1
  Ni  Ni179  1  0.296606  0.652834  0.475341  1
  Ni  Ni180  1  0.296596  -0.022292  0.450869  1
  Ni  Ni181  1  0.824831  0.302219  0.424864  1
  Ni  Ni182  1  0.824884  0.652834  0.475341  1
  Ni  Ni183  1  0.824895  -0.022292  0.450869  1
  Ni  Ni184  1  0.060745  0.127104  0.400097  1
  Ni  Ni185  1  0.060745  0.477790  0.451116  1
  Ni  Ni186  1  0.060745  0.801986  0.424333  1
  Ni  Ni187  1  0.810708  0.396532  0.457077  1
  Ni  Ni188  1  0.810722  0.720873  0.430791  1
  Ni  Ni189  1  0.811001  0.045914  0.406582  1
  Ni  Ni190  1  0.810748  0.234222  0.469744  1
  Ni  Ni191  1  0.810861  0.558774  0.444206  1
  Ni  Ni192  1  0.810665  0.883363  0.418648  1
  Ni  Ni193  1  0.796662  0.140132  0.438407  1
  Ni  Ni194  1  0.796743  0.464655  0.412627  1
  Ni  Ni195  1  0.796593  0.815208  0.462885  1
  Ni  Ni196  1  0.324828  0.140132  0.438407  1
  Ni  Ni197  1  0.324748  0.464655  0.412627  1
  Ni  Ni198  1  0.324897  0.815208  0.462885  1
  Ni  Ni199  1  0.560745  0.341679  0.540301  1
  Ni  Ni200  1  0.560745  0.665976  0.513698  1
  Ni  Ni201  1  0.560745  -0.009091  0.489360  1
  Ni  Ni202  1  0.310440  0.260391  0.546364  1
  Ni  Ni203  1  0.310858  0.585079  0.520951  1
  Ni  Ni204  1  0.310759  0.909719  0.495548  1
  Ni  Ni205  1  0.310947  0.422899  0.533981  1
  Ni  Ni206  1  0.310703  0.747232  0.507644  1
  Ni  Ni207  1  0.310751  0.072180  0.483404  1
  Ni  Ni208  1  0.296634  0.328548  0.501818  1
  Ni  Ni209  1  0.297081  0.679107  0.552080  1
  Ni  Ni210  1  0.296717  0.004077  0.527846  1
  Ni  Ni211  1  0.824857  0.328548  0.501818  1
  Ni  Ni212  1  0.824409  0.679107  0.552080  1
  Ni  Ni213  1  0.824774  0.004077  0.527846  1
  Ni  Ni214  1  0.060745  0.153257  0.476794  1
  Ni  Ni215  1  0.060745  0.504238  0.528205  1
  Ni  Ni216  1  0.060745  0.828404  0.501374  1
  Ni  Ni217  1  0.810544  0.422899  0.533981  1
  Ni  Ni218  1  0.810787  0.747232  0.507644  1
  Ni  Ni219  1  0.810739  0.072180  0.483404  1
  Ni  Ni220  1  0.811050  0.260391  0.546364  1
  Ni  Ni221  1  0.810633  0.585079  0.520951  1
  Ni  Ni222  1  0.810731  0.909719  0.495548  1
  Ni  Ni223  1  0.796722  0.166362  0.515192  1
  Ni  Ni224  1  0.796605  0.490976  0.489594  1
  Ni  Ni225  1  0.796765  0.841595  0.539868  1
  Ni  Ni226  1  0.324768  0.166362  0.515192  1
  Ni  Ni227  1  0.324886  0.490976  0.489594  1
  Ni  Ni228  1  0.324725  0.841595  0.539868  1
  Ni  Ni229  1  0.560745  0.368690  0.617581  1
  Ni  Ni230  1  0.560745  0.692177  0.590352  1
  Ni  Ni231  1  0.560745  0.017175  0.566295  1
  Ni  Ni232  1  0.312125  0.286760  0.622450  1
  Ni  Ni233  1  0.310686  0.611446  0.597766  1
  Ni  Ni234  1  0.310575  0.936035  0.572587  1
  Ni  Ni235  1  0.310188  0.449457  0.610678  1
  Ni  Ni236  1  0.311132  0.773543  0.584589  1
  Ni  Ni237  1  0.310728  0.098483  0.560472  1
  Ni  Ni238  1  0.297130  0.355002  0.578816  1
  Ni  Ni239  1  0.294747  0.705129  0.628435  1
  Ni  Ni240  1  0.296493  0.030363  0.604696  1
  Ni  Ni241  1  0.824361  0.355002  0.578816  1
  Ni  Ni242  1  0.826743  0.705129  0.628435  1
  Ni  Ni243  1  0.824997  0.030363  0.604696  1
  Ni  Ni244  1  0.060745  0.179433  0.553656  1
  Ni  Ni245  1  0.060745  0.531070  0.605872  1
  Ni  Ni246  1  0.060745  0.854653  0.578328  1
  Ni  Ni247  1  0.811303  0.449457  0.610678  1
  Ni  Ni248  1  0.810359  0.773543  0.584589  1
  Ni  Ni249  1  0.810762  0.098483  0.560472  1
  Ni  Ni250  1  0.809366  0.286760  0.622450  1
  Ni  Ni251  1  0.810804  0.611446  0.597766  1
  Ni  Ni252  1  0.810916  0.936035  0.572587  1
  Ni  Ni253  1  0.796793  0.192645  0.592118  1
  Ni  Ni254  1  0.797072  0.517459  0.566854  1
  Ni  Ni255  1  0.796040  0.867775  0.616713  1
  Ni  Ni256  1  0.324698  0.192645  0.592118  1
  Ni  Ni257  1  0.324419  0.517459  0.566854  1
  Ni  Ni258  1  0.325450  0.867775  0.616713  1
  Ni  Ni259  1  0.560745  0.388988  0.694311  1
  Ni  Ni260  1  0.560745  0.719388  0.665609  1
  Ni  Ni261  1  0.560745  0.043553  0.642805  1
  Ni  Ni262  1  0.309095  0.305258  0.699241  1
  Ni  Ni263  1  0.312781  0.637862  0.674771  1
  Ni  Ni264  1  0.312410  0.962353  0.649716  1
  Ni  Ni265  1  0.311977  0.472872  0.687374  1
  Ni  Ni266  1  0.306831  0.799877  0.661573  1
  Ni  Ni267  1  0.310823  0.125063  0.637735  1
  Ni  Ni268  1  0.291528  0.382203  0.656207  1
  Ni  Ni269  1  0.310773  0.721774  0.705465  1
  Ni  Ni270  1  0.301403  0.056003  0.681449  1
  Ni  Ni271  1  0.829963  0.382203  0.656207  1
  Ni  Ni272  1  0.810718  0.721774  0.705465  1
  Ni  Ni273  1  0.820088  0.056003  0.681449  1
  Ni  Ni274  1  0.060745  0.206043  0.630656  1
  Ni  Ni275  1  0.060745  0.556490  0.682793  1
  Ni  Ni276  1  0.060745  0.881393  0.654645  1
  Ni  Ni277  1  0.809514  0.472872  0.687374  1
  Ni  Ni278  1  0.814659  0.799877  0.661573  1
  Ni  Ni279  1  0.810668  0.125063  0.637735  1
  Ni  Ni280  1  0.812396  0.305258  0.699241  1
  Ni  Ni281  1  0.808710  0.637862  0.674771  1
  Ni  Ni282  1  0.809081  0.962353  0.649716  1
  Ni  Ni283  1  0.797334  0.220906  0.669246  1
  Ni  Ni284  1  0.791152  0.543934  0.644692  1
  Ni  Ni285  1  0.803789  0.890113  0.693728  1
  Ni  Ni286  1  0.324157  0.220906  0.669246  1
  Ni  Ni287  1  0.330339  0.543934  0.644692  1
  Ni  Ni288  1  0.317702  0.890113  0.693728  1
