# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.80513297
_cell_length_b   13.24154554
_cell_length_c   47.50565910
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.62377970
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   5974.76280181
_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  0.473107  0.539421  0.324026  1
  Al  Al2  1  0.368872  0.832712  0.352769  1
  Al  Al3  1  0.563067  0.248316  0.291119  1
  Al  Al4  1  0.597700  0.654080  0.360265  1
  Al  Al5  1  0.800974  0.070822  0.299545  1
  Al  Al6  1  0.701192  0.361988  0.331382  1
  Al  Al7  1  0.223018  0.722098  0.312543  1
  Al  Al8  1  0.136738  0.011002  0.345037  1
  Al  Al9  1  0.335448  0.431606  0.282904  1
  Al  Al10  1  0.973107  0.539421  0.324026  1
  Al  Al11  1  0.868872  0.832712  0.352769  1
  Al  Al12  1  0.063067  0.248316  0.291119  1
  Al  Al13  1  0.097700  0.654080  0.360265  1
  Al  Al14  1  0.300974  0.070822  0.299545  1
  Al  Al15  1  0.201192  0.361988  0.331382  1
  Al  Al16  1  0.723018  0.722098  0.312543  1
  Al  Al17  1  0.636738  0.011002  0.345037  1
  Al  Al18  1  0.835448  0.431606  0.282904  1
  Al  Al19  1  0.177589  0.411092  0.413958  1
  Al  Al20  1  0.077379  0.701564  0.443563  1
  Al  Al21  1  0.271057  0.122250  0.382889  1
  Al  Al22  1  0.308710  0.522998  0.452063  1
  Al  Al23  1  0.503545  0.943339  0.391422  1
  Al  Al24  1  0.407696  0.232714  0.422174  1
  Al  Al25  1  0.941646  0.590682  0.404545  1
  Al  Al26  1  0.845026  0.880172  0.435388  1
  Al  Al27  1  0.042032  0.299857  0.374109  1
  Al  Al28  1  0.677589  0.411092  0.413958  1
  Al  Al29  1  0.577379  0.701564  0.443563  1
  Al  Al30  1  0.771057  0.122250  0.382889  1
  Al  Al31  1  0.808710  0.522998  0.452063  1
  Al  Al32  1  0.003545  0.943339  0.391422  1
  Al  Al33  1  0.907696  0.232714  0.422174  1
  Al  Al34  1  0.441646  0.590682  0.404545  1
  Al  Al35  1  0.345026  0.880172  0.435388  1
  Al  Al36  1  0.542032  0.299857  0.374109  1
  Al  Al37  1  0.883173  0.280897  0.504898  1
  Al  Al38  1  0.783682  0.571198  0.534878  1
  Al  Al39  1  0.979337  0.991364  0.474261  1
  Al  Al40  1  0.015820  0.392622  0.543501  1
  Al  Al41  1  0.211273  0.812694  0.482591  1
  Al  Al42  1  0.115098  0.102009  0.513274  1
  Al  Al43  1  0.649324  0.459938  0.496091  1
  Al  Al44  1  0.551229  0.750019  0.526506  1
  Al  Al45  1  0.747983  0.170165  0.465953  1
  Al  Al46  1  0.383173  0.280897  0.504898  1
  Al  Al47  1  0.283682  0.571198  0.534878  1
  Al  Al48  1  0.479337  0.991364  0.474261  1
  Al  Al49  1  0.515820  0.392622  0.543501  1
  Al  Al50  1  0.711273  0.812694  0.482591  1
  Al  Al51  1  0.615098  0.102009  0.513274  1
  Al  Al52  1  0.149324  0.459938  0.496091  1
  Al  Al53  1  0.051229  0.750019  0.526506  1
  Al  Al54  1  0.247983  0.170165  0.465953  1
  Al  Al55  1  0.590575  0.150384  0.596152  1
  Al  Al56  1  0.490946  0.440433  0.626278  1
  Al  Al57  1  0.685362  0.861050  0.565551  1
  Al  Al58  1  0.720469  0.263124  0.635202  1
  Al  Al59  1  0.917654  0.682382  0.573656  1
  Al  Al60  1  0.822577  0.971349  0.604778  1
  Al  Al61  1  0.355955  0.329164  0.587132  1
  Al  Al62  1  0.257700  0.619875  0.617789  1
  Al  Al63  1  0.455115  0.039935  0.557379  1
  Al  Al64  1  0.090575  0.150384  0.596152  1
  Al  Al65  1  0.990946  0.440433  0.626278  1
  Al  Al66  1  0.185362  0.861050  0.565551  1
  Al  Al67  1  0.220469  0.263124  0.635202  1
  Al  Al68  1  0.417654  0.682382  0.573656  1
  Al  Al69  1  0.322577  0.971349  0.604778  1
  Al  Al70  1  0.855955  0.329164  0.587132  1
  Al  Al71  1  0.757700  0.619875  0.617789  1
  Al  Al72  1  0.955115  0.039935  0.557379  1
  Al  Al73  1  0.309462  0.020751  0.686595  1
  Al  Al74  1  0.195783  0.314451  0.718160  1
  Al  Al75  1  0.391862  0.729611  0.656221  1
  Al  Al76  1  0.418881  0.130029  0.725500  1
  Al  Al77  1  0.624621  0.552060  0.664041  1
  Al  Al78  1  0.531690  0.840263  0.696934  1
  Al  Al79  1  0.059290  0.200092  0.677284  1
  Al  Al80  1  0.957628  0.490833  0.709633  1
  Al  Al81  1  0.164616  0.909271  0.648492  1
  Al  Al82  1  0.809462  0.020751  0.686595  1
  Al  Al83  1  0.695783  0.314451  0.718160  1
  Al  Al84  1  0.891862  0.729611  0.656221  1
  Al  Al85  1  0.918881  0.130029  0.725500  1
  Al  Al86  1  0.124621  0.552060  0.664041  1
  Al  Al87  1  0.031690  0.840263  0.696934  1
  Al  Al88  1  0.559290  0.200092  0.677284  1
  Al  Al89  1  0.457628  0.490833  0.709633  1
  Al  Al90  1  0.664616  0.909271  0.648492  1
  Ni  Ni91  1  0.627839  0.601916  0.279903  1
  Ni  Ni92  1  0.510032  0.896561  0.308647  1
  Ni  Ni93  1  0.419615  0.186633  0.337634  1
  Ni  Ni94  1  0.379088  0.604578  0.279198  1
  Ni  Ni95  1  0.260640  0.896985  0.307939  1
  Ni  Ni96  1  0.170265  0.185511  0.336781  1
  Ni  Ni97  1  0.725310  0.537907  0.323751  1
  Ni  Ni98  1  0.619681  0.831630  0.353043  1
  Ni  Ni99  1  0.812740  0.253014  0.293080  1
  Ni  Ni100  1  0.475599  0.719594  0.314610  1
  Ni  Ni101  1  0.390235  0.010170  0.345985  1
  Ni  Ni102  1  0.589155  0.427467  0.286416  1
  Ni  Ni103  1  0.341843  0.656973  0.358894  1
  Ni  Ni104  1  0.546327  0.072159  0.300063  1
  Ni  Ni105  1  0.446536  0.363594  0.328590  1
  Ni  Ni106  1  0.127839  0.601916  0.279903  1
  Ni  Ni107  1  0.010032  0.896561  0.308647  1
  Ni  Ni108  1  0.919615  0.186633  0.337634  1
  Ni  Ni109  1  0.879088  0.604578  0.279198  1
  Ni  Ni110  1  0.760640  0.896985  0.307939  1
  Ni  Ni111  1  0.670265  0.185511  0.336781  1
  Ni  Ni112  1  0.225310  0.537907  0.323751  1
  Ni  Ni113  1  0.119681  0.831630  0.353043  1
  Ni  Ni114  1  0.312740  0.253014  0.293080  1
  Ni  Ni115  1  0.975599  0.719594  0.314610  1
  Ni  Ni116  1  0.890235  0.010170  0.345985  1
  Ni  Ni117  1  0.089155  0.427467  0.286416  1
  Ni  Ni118  1  0.841843  0.656973  0.358894  1
  Ni  Ni119  1  0.046327  0.072159  0.300063  1
  Ni  Ni120  1  0.946536  0.363594  0.328590  1
  Ni  Ni121  1  0.328611  0.475114  0.368217  1
  Ni  Ni122  1  0.223515  0.766618  0.398242  1
  Ni  Ni123  1  0.125278  0.056871  0.428710  1
  Ni  Ni124  1  0.078057  0.475607  0.368660  1
  Ni  Ni125  1  0.973348  0.766864  0.398040  1
  Ni  Ni126  1  0.875232  0.056729  0.428610  1
  Ni  Ni127  1  0.428137  0.410710  0.413622  1
  Ni  Ni128  1  0.327412  0.701404  0.443699  1
  Ni  Ni129  1  0.520919  0.122379  0.383274  1
  Ni  Ni130  1  0.196016  0.588508  0.405853  1
  Ni  Ni131  1  0.099349  0.878485  0.436773  1
  Ni  Ni132  1  0.296716  0.298019  0.376465  1
  Ni  Ni133  1  0.053893  0.525317  0.450685  1
  Ni  Ni134  1  0.249379  0.945208  0.390208  1
  Ni  Ni135  1  0.152928  0.234893  0.420428  1
  Ni  Ni136  1  0.828611  0.475114  0.368217  1
  Ni  Ni137  1  0.723515  0.766618  0.398242  1
  Ni  Ni138  1  0.625278  0.056871  0.428710  1
  Ni  Ni139  1  0.578057  0.475607  0.368660  1
  Ni  Ni140  1  0.473348  0.766864  0.398040  1
  Ni  Ni141  1  0.375232  0.056729  0.428610  1
  Ni  Ni142  1  0.928137  0.410710  0.413622  1
  Ni  Ni143  1  0.827412  0.701404  0.443699  1
  Ni  Ni144  1  0.020919  0.122379  0.383274  1
  Ni  Ni145  1  0.696016  0.588508  0.405853  1
  Ni  Ni146  1  0.599349  0.878485  0.436773  1
  Ni  Ni147  1  0.796716  0.298019  0.376465  1
  Ni  Ni148  1  0.553893  0.525317  0.450685  1
  Ni  Ni149  1  0.749379  0.945208  0.390208  1
  Ni  Ni150  1  0.652928  0.234893  0.420428  1
  Ni  Ni151  1  0.030442  0.346094  0.459277  1
  Ni  Ni152  1  0.929675  0.636455  0.489368  1
  Ni  Ni153  1  0.832619  0.926252  0.519752  1
  Ni  Ni154  1  0.780433  0.346148  0.459387  1
  Ni  Ni155  1  0.679729  0.636444  0.489275  1
  Ni  Ni156  1  0.582573  0.926213  0.519913  1
  Ni  Ni157  1  0.133274  0.280809  0.504976  1
  Ni  Ni158  1  0.033634  0.571236  0.534858  1
  Ni  Ni159  1  0.229323  0.991466  0.474209  1
  Ni  Ni160  1  0.903766  0.457954  0.497536  1
  Ni  Ni161  1  0.805527  0.748171  0.528001  1
  Ni  Ni162  1  0.002630  0.167916  0.467510  1
  Ni  Ni163  1  0.761254  0.394505  0.541892  1
  Ni  Ni164  1  0.956969  0.814513  0.481090  1
  Ni  Ni165  1  0.860516  0.104287  0.511846  1
  Ni  Ni166  1  0.530442  0.346094  0.459277  1
  Ni  Ni167  1  0.429675  0.636455  0.489368  1
  Ni  Ni168  1  0.332619  0.926252  0.519752  1
  Ni  Ni169  1  0.280433  0.346148  0.459387  1
  Ni  Ni170  1  0.179729  0.636444  0.489275  1
  Ni  Ni171  1  0.082573  0.926213  0.519913  1
  Ni  Ni172  1  0.633274  0.280809  0.504976  1
  Ni  Ni173  1  0.533634  0.571236  0.534858  1
  Ni  Ni174  1  0.729323  0.991466  0.474209  1
  Ni  Ni175  1  0.403766  0.457954  0.497536  1
  Ni  Ni176  1  0.305527  0.748171  0.528001  1
  Ni  Ni177  1  0.502630  0.167916  0.467510  1
  Ni  Ni178  1  0.261254  0.394505  0.541892  1
  Ni  Ni179  1  0.456969  0.814513  0.481090  1
  Ni  Ni180  1  0.360516  0.104287  0.511846  1
  Ni  Ni181  1  0.737561  0.215389  0.550693  1
  Ni  Ni182  1  0.636490  0.505853  0.580412  1
  Ni  Ni183  1  0.539396  0.795742  0.610661  1
  Ni  Ni184  1  0.487525  0.215657  0.550412  1
  Ni  Ni185  1  0.386447  0.506025  0.580640  1
  Ni  Ni186  1  0.289425  0.795637  0.610947  1
  Ni  Ni187  1  0.840466  0.150312  0.596711  1
  Ni  Ni188  1  0.740964  0.440666  0.625778  1
  Ni  Ni189  1  0.935214  0.861388  0.565346  1
  Ni  Ni190  1  0.610484  0.327472  0.588919  1
  Ni  Ni191  1  0.512125  0.617481  0.618874  1
  Ni  Ni192  1  0.710007  0.037134  0.558732  1
  Ni  Ni193  1  0.465372  0.264701  0.632691  1
  Ni  Ni194  1  0.663405  0.684017  0.572272  1
  Ni  Ni195  1  0.567528  0.974226  0.603303  1
  Ni  Ni196  1  0.237561  0.215389  0.550693  1
  Ni  Ni197  1  0.136490  0.505853  0.580412  1
  Ni  Ni198  1  0.039396  0.795742  0.610661  1
  Ni  Ni199  1  0.987525  0.215657  0.550412  1
  Ni  Ni200  1  0.886447  0.506025  0.580640  1
  Ni  Ni201  1  0.789425  0.795637  0.610947  1
  Ni  Ni202  1  0.340466  0.150312  0.596711  1
  Ni  Ni203  1  0.240964  0.440666  0.625778  1
  Ni  Ni204  1  0.435214  0.861388  0.565346  1
  Ni  Ni205  1  0.110484  0.327472  0.588919  1
  Ni  Ni206  1  0.012125  0.617481  0.618874  1
  Ni  Ni207  1  0.210007  0.037134  0.558732  1
  Ni  Ni208  1  0.965372  0.264701  0.632691  1
  Ni  Ni209  1  0.163405  0.684017  0.572272  1
  Ni  Ni210  1  0.067528  0.974226  0.603303  1
  Ni  Ni211  1  0.444988  0.084626  0.642735  1
  Ni  Ni212  1  0.340958  0.376796  0.671484  1
  Ni  Ni213  1  0.248409  0.665613  0.700213  1
  Ni  Ni214  1  0.195293  0.085121  0.641801  1
  Ni  Ni215  1  0.090431  0.377212  0.672412  1
  Ni  Ni216  1  0.997968  0.664214  0.700965  1
  Ni  Ni217  1  0.559812  0.018992  0.688030  1
  Ni  Ni218  1  0.446786  0.307745  0.715879  1
  Ni  Ni219  1  0.640353  0.732312  0.656165  1
  Ni  Ni220  1  0.312792  0.200901  0.680390  1
  Ni  Ni221  1  0.212046  0.490352  0.709137  1
  Ni  Ni222  1  0.421267  0.904236  0.649970  1
  Ni  Ni223  1  0.164856  0.135579  0.721764  1
  Ni  Ni224  1  0.371285  0.552483  0.663116  1
  Ni  Ni225  1  0.278191  0.844337  0.693775  1
  Ni  Ni226  1  0.944988  0.084626  0.642735  1
  Ni  Ni227  1  0.840958  0.376796  0.671484  1
  Ni  Ni228  1  0.748409  0.665613  0.700213  1
  Ni  Ni229  1  0.695293  0.085121  0.641801  1
  Ni  Ni230  1  0.590431  0.377212  0.672412  1
  Ni  Ni231  1  0.497968  0.664214  0.700965  1
  Ni  Ni232  1  0.059812  0.018992  0.688030  1
  Ni  Ni233  1  0.946786  0.307745  0.715879  1
  Ni  Ni234  1  0.140353  0.732312  0.656165  1
  Ni  Ni235  1  0.812792  0.200901  0.680390  1
  Ni  Ni236  1  0.712046  0.490352  0.709137  1
  Ni  Ni237  1  0.921267  0.904236  0.649970  1
  Ni  Ni238  1  0.664856  0.135579  0.721764  1
  Ni  Ni239  1  0.871285  0.552483  0.663116  1
  Ni  Ni240  1  0.778191  0.844337  0.693775  1
