# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.56977626
_cell_length_b   10.63117765
_cell_length_c   54.22050719
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.32281366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   7823.52329697
_cell_formula_units_Z   40
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  0.612655  0.812863  0.361298  1
  Al  Al2  1  0.033957  0.018019  0.317111  1
  Al  Al3  1  0.112655  0.312863  0.361298  1
  Al  Al4  1  0.533957  0.518019  0.317111  1
  Al  Al5  1  0.538801  0.259048  0.318815  1
  Al  Al6  1  0.953688  0.477116  0.274310  1
  Al  Al7  1  0.038801  0.759048  0.318815  1
  Al  Al8  1  0.453688  0.977116  0.274310  1
  Al  Al9  1  0.610030  0.070803  0.358851  1
  Al  Al10  1  0.029569  0.283429  0.315372  1
  Al  Al11  1  0.110030  0.570803  0.358851  1
  Al  Al12  1  0.529569  0.783429  0.315372  1
  Al  Al13  1  0.320006  0.915483  0.339992  1
  Al  Al14  1  0.756199  0.128331  0.288937  1
  Al  Al15  1  0.820006  0.415483  0.339992  1
  Al  Al16  1  0.256199  0.628331  0.288937  1
  Al  Al17  1  0.248121  0.363554  0.294763  1
  Al  Al18  1  0.826877  0.154372  0.340989  1
  Al  Al19  1  0.748121  0.863554  0.294763  1
  Al  Al20  1  0.326877  0.654372  0.340989  1
  Al  Al21  1  0.318642  0.177216  0.337141  1
  Al  Al22  1  0.745506  0.389313  0.290391  1
  Al  Al23  1  0.818642  0.677216  0.337141  1
  Al  Al24  1  0.245506  0.889313  0.290391  1
  Al  Al25  1  0.767098  0.389017  0.452892  1
  Al  Al26  1  0.190077  0.599653  0.407117  1
  Al  Al27  1  0.267098  0.889017  0.452892  1
  Al  Al28  1  0.690077  0.099653  0.407117  1
  Al  Al29  1  0.693165  0.840863  0.409213  1
  Al  Al30  1  0.116134  0.050901  0.363529  1
  Al  Al31  1  0.193165  0.340863  0.409213  1
  Al  Al32  1  0.616134  0.550901  0.363529  1
  Al  Al33  1  0.763702  0.648970  0.450823  1
  Al  Al34  1  0.186627  0.859155  0.405145  1
  Al  Al35  1  0.263702  0.148970  0.450823  1
  Al  Al36  1  0.686627  0.359155  0.405145  1
  Al  Al37  1  0.479281  0.494883  0.429737  1
  Al  Al38  1  0.900260  0.705112  0.384836  1
  Al  Al39  1  0.979281  0.994883  0.429737  1
  Al  Al40  1  0.400260  0.205112  0.384836  1
  Al  Al41  1  0.403988  0.946293  0.386986  1
  Al  Al42  1  0.982444  0.735140  0.431841  1
  Al  Al43  1  0.903988  0.446293  0.386986  1
  Al  Al44  1  0.482444  0.235140  0.431841  1
  Al  Al45  1  0.475461  0.754367  0.427827  1
  Al  Al46  1  0.897504  0.964339  0.382469  1
  Al  Al47  1  0.975461  0.254367  0.427827  1
  Al  Al48  1  0.397504  0.464339  0.382469  1
  Al  Al49  1  0.922904  0.968321  0.543409  1
  Al  Al50  1  0.344977  0.178704  0.498154  1
  Al  Al51  1  0.422904  0.468321  0.543409  1
  Al  Al52  1  0.844977  0.678704  0.498154  1
  Al  Al53  1  0.848464  0.419222  0.500206  1
  Al  Al54  1  0.270862  0.629738  0.454842  1
  Al  Al55  1  0.348464  0.919222  0.500206  1
  Al  Al56  1  0.770862  0.129738  0.454842  1
  Al  Al57  1  0.919128  0.227522  0.541450  1
  Al  Al58  1  0.341499  0.438114  0.496094  1
  Al  Al59  1  0.419128  0.727522  0.541450  1
  Al  Al60  1  0.841499  0.938114  0.496094  1
  Al  Al61  1  0.633565  0.073155  0.520984  1
  Al  Al62  1  0.056344  0.284169  0.475343  1
  Al  Al63  1  0.133565  0.573155  0.520984  1
  Al  Al64  1  0.556344  0.784169  0.475343  1
  Al  Al65  1  0.559801  0.524568  0.477383  1
  Al  Al66  1  0.137075  0.313829  0.523041  1
  Al  Al67  1  0.059801  0.024568  0.477383  1
  Al  Al68  1  0.637075  0.813829  0.523041  1
  Al  Al69  1  0.630153  0.332773  0.518944  1
  Al  Al70  1  0.052841  0.543495  0.473293  1
  Al  Al71  1  0.130153  0.832773  0.518944  1
  Al  Al72  1  0.552841  0.043495  0.473293  1
  Al  Al73  1  0.076854  0.545382  0.634879  1
  Al  Al74  1  0.499834  0.757596  0.589212  1
  Al  Al75  1  0.576854  0.045382  0.634879  1
  Al  Al76  1  0.999834  0.257596  0.589212  1
  Al  Al77  1  0.003363  0.998134  0.591236  1
  Al  Al78  1  0.426257  0.208434  0.545493  1
  Al  Al79  1  0.503363  0.498134  0.591236  1
  Al  Al80  1  0.926257  0.708434  0.545493  1
  Al  Al81  1  0.073266  0.806094  0.632942  1
  Al  Al82  1  0.496693  0.016541  0.587137  1
  Al  Al83  1  0.573266  0.306094  0.632942  1
  Al  Al84  1  0.996693  0.516541  0.587137  1
  Al  Al85  1  0.789556  0.652566  0.611400  1
  Al  Al86  1  0.210745  0.862543  0.566537  1
  Al  Al87  1  0.289556  0.152566  0.611400  1
  Al  Al88  1  0.710745  0.362543  0.566537  1
  Al  Al89  1  0.714564  0.103004  0.568453  1
  Al  Al90  1  0.292701  0.892801  0.613702  1
  Al  Al91  1  0.214564  0.603004  0.568453  1
  Al  Al92  1  0.792701  0.392801  0.613702  1
  Al  Al93  1  0.785964  0.911072  0.609359  1
  Al  Al94  1  0.207445  0.122162  0.564494  1
  Al  Al95  1  0.285964  0.411072  0.609359  1
  Al  Al96  1  0.707445  0.622162  0.564494  1
  Al  Al97  1  0.256953  0.142828  0.726271  1
  Al  Al98  1  0.656343  0.338105  0.678938  1
  Al  Al99  1  0.756953  0.642828  0.726271  1
  Al  Al100  1  0.156343  0.838105  0.678938  1
  Al  Al101  1  0.159799  0.574596  0.680487  1
  Al  Al102  1  0.580391  0.787051  0.637369  1
  Al  Al103  1  0.659799  0.074596  0.680487  1
  Al  Al104  1  0.080391  0.287051  0.637369  1
  Al  Al105  1  0.238548  0.393459  0.722393  1
  Al  Al106  1  0.652376  0.596985  0.677640  1
  Al  Al107  1  0.738548  0.893459  0.722393  1
  Al  Al108  1  0.152376  0.096985  0.677640  1
  Al  Al109  1  0.942457  0.231871  0.706364  1
  Al  Al110  1  0.369993  0.443296  0.656571  1
  Al  Al111  1  0.442457  0.731871  0.706364  1
  Al  Al112  1  0.869993  0.943296  0.656571  1
  Al  Al113  1  0.871336  0.681194  0.658985  1
  Al  Al114  1  0.445485  0.468815  0.706482  1
  Al  Al115  1  0.371336  0.181194  0.658985  1
  Al  Al116  1  0.945485  0.968815  0.706482  1
  Al  Al117  1  0.941211  0.492172  0.701684  1
  Al  Al118  1  0.363437  0.703040  0.655538  1
  Al  Al119  1  0.441211  0.992172  0.701684  1
  Al  Al120  1  0.863437  0.203040  0.655538  1
  Ni  Ni121  1  0.239901  0.126231  0.293024  1
  Ni  Ni122  1  0.824469  0.914903  0.338687  1
  Ni  Ni123  1  0.739901  0.626231  0.293024  1
  Ni  Ni124  1  0.324469  0.414903  0.338687  1
  Ni  Ni125  1  0.087236  0.172524  0.282885  1
  Ni  Ni126  1  0.682600  0.971926  0.326153  1
  Ni  Ni127  1  0.587236  0.672524  0.282885  1
  Ni  Ni128  1  0.182600  0.471926  0.326153  1
  Ni  Ni129  1  0.180127  0.968510  0.327169  1
  Ni  Ni130  1  0.602129  0.179114  0.282242  1
  Ni  Ni131  1  0.680127  0.468510  0.327169  1
  Ni  Ni132  1  0.102129  0.679114  0.282242  1
  Ni  Ni133  1  0.168535  0.214465  0.328564  1
  Ni  Ni134  1  0.585366  0.417474  0.283345  1
  Ni  Ni135  1  0.668535  0.714465  0.328564  1
  Ni  Ni136  1  0.085366  0.917474  0.283345  1
  Ni  Ni137  1  0.401776  0.324553  0.302626  1
  Ni  Ni138  1  0.976917  0.117730  0.349718  1
  Ni  Ni139  1  0.901776  0.824553  0.302626  1
  Ni  Ni140  1  0.476917  0.617730  0.349718  1
  Ni  Ni141  1  0.533655  0.021665  0.316861  1
  Ni  Ni142  1  0.943560  0.238649  0.272274  1
  Ni  Ni143  1  0.033655  0.521665  0.316861  1
  Ni  Ni144  1  0.443560  0.738649  0.272274  1
  Ni  Ni145  1  0.387776  0.076326  0.306198  1
  Ni  Ni146  1  0.967840  0.861373  0.350730  1
  Ni  Ni147  1  0.887776  0.576326  0.306198  1
  Ni  Ni148  1  0.467840  0.361373  0.350730  1
  Ni  Ni149  1  0.465307  0.863414  0.351059  1
  Ni  Ni150  1  0.893752  0.071416  0.304913  1
  Ni  Ni151  1  0.965307  0.363414  0.351059  1
  Ni  Ni152  1  0.393752  0.571416  0.304913  1
  Ni  Ni153  1  0.457641  0.108391  0.351878  1
  Ni  Ni154  1  0.878898  0.320752  0.307929  1
  Ni  Ni155  1  0.957641  0.608391  0.351878  1
  Ni  Ni156  1  0.378898  0.820752  0.307929  1
  Ni  Ni157  1  0.106838  0.430553  0.281463  1
  Ni  Ni158  1  0.691956  0.221039  0.324950  1
  Ni  Ni159  1  0.606838  0.930553  0.281463  1
  Ni  Ni160  1  0.191956  0.721039  0.324950  1
  Ni  Ni161  1  0.400844  0.704630  0.384810  1
  Ni  Ni162  1  0.978967  0.495185  0.429836  1
  Ni  Ni163  1  0.900844  0.204630  0.384810  1
  Ni  Ni164  1  0.478967  0.995185  0.429836  1
  Ni  Ni165  1  0.257075  0.756683  0.373231  1
  Ni  Ni166  1  0.833351  0.547093  0.418919  1
  Ni  Ni167  1  0.757075  0.256683  0.373231  1
  Ni  Ni168  1  0.333351  0.047093  0.418919  1
  Ni  Ni169  1  0.334030  0.546829  0.418727  1
  Ni  Ni170  1  0.755939  0.758524  0.373123  1
  Ni  Ni171  1  0.834030  0.046829  0.418727  1
  Ni  Ni172  1  0.255939  0.258524  0.373123  1
  Ni  Ni173  1  0.324963  0.792522  0.419773  1
  Ni  Ni174  1  0.747903  0.003269  0.373888  1
  Ni  Ni175  1  0.824963  0.292522  0.419773  1
  Ni  Ni176  1  0.247903  0.503269  0.373888  1
  Ni  Ni177  1  0.554725  0.907751  0.394637  1
  Ni  Ni178  1  0.132335  0.696380  0.440270  1
  Ni  Ni179  1  0.054725  0.407751  0.394637  1
  Ni  Ni180  1  0.632335  0.196380  0.440270  1
  Ni  Ni181  1  0.689654  0.600294  0.407268  1
  Ni  Ni182  1  0.114981  0.810813  0.361163  1
  Ni  Ni183  1  0.189654  0.100294  0.407268  1
  Ni  Ni184  1  0.614981  0.310813  0.361163  1
  Ni  Ni185  1  0.546219  0.653345  0.395597  1
  Ni  Ni186  1  0.123160  0.442190  0.441257  1
  Ni  Ni187  1  0.046219  0.153345  0.395597  1
  Ni  Ni188  1  0.623160  0.942190  0.441257  1
  Ni  Ni189  1  0.623361  0.442050  0.441255  1
  Ni  Ni190  1  0.046628  0.653154  0.395464  1
  Ni  Ni191  1  0.123361  0.942050  0.441255  1
  Ni  Ni192  1  0.546628  0.153154  0.395464  1
  Ni  Ni193  1  0.614018  0.687705  0.442248  1
  Ni  Ni194  1  0.037218  0.897954  0.396569  1
  Ni  Ni195  1  0.114018  0.187705  0.442248  1
  Ni  Ni196  1  0.537218  0.397954  0.396569  1
  Ni  Ni197  1  0.265178  0.013519  0.372488  1
  Ni  Ni198  1  0.842958  0.802019  0.417783  1
  Ni  Ni199  1  0.765178  0.513519  0.372488  1
  Ni  Ni200  1  0.342958  0.302019  0.417783  1
  Ni  Ni201  1  0.556487  0.284153  0.475317  1
  Ni  Ni202  1  0.133436  0.073134  0.521019  1
  Ni  Ni203  1  0.056487  0.784153  0.475317  1
  Ni  Ni204  1  0.633436  0.573134  0.521019  1
  Ni  Ni205  1  0.412104  0.336857  0.463961  1
  Ni  Ni206  1  0.989674  0.126258  0.509398  1
  Ni  Ni207  1  0.912104  0.836857  0.463961  1
  Ni  Ni208  1  0.489674  0.626258  0.509398  1
  Ni  Ni209  1  0.489734  0.126200  0.509391  1
  Ni  Ni210  1  0.911994  0.336803  0.464007  1
  Ni  Ni211  1  0.989734  0.626200  0.509391  1
  Ni  Ni212  1  0.411994  0.836803  0.464007  1
  Ni  Ni213  1  0.480508  0.371536  0.510371  1
  Ni  Ni214  1  0.902883  0.582343  0.465000  1
  Ni  Ni215  1  0.980508  0.871536  0.510371  1
  Ni  Ni216  1  0.402883  0.082343  0.465000  1
  Ni  Ni217  1  0.709454  0.485798  0.485944  1
  Ni  Ni218  1  0.287041  0.274990  0.531321  1
  Ni  Ni219  1  0.209454  0.985798  0.485944  1
  Ni  Ni220  1  0.787041  0.774990  0.531321  1
  Ni  Ni221  1  0.844994  0.178652  0.498148  1
  Ni  Ni222  1  0.267088  0.389121  0.452824  1
  Ni  Ni223  1  0.344994  0.678652  0.498148  1
  Ni  Ni224  1  0.767088  0.889121  0.452824  1
  Ni  Ni225  1  0.700300  0.231059  0.486912  1
  Ni  Ni226  1  0.277897  0.020562  0.532337  1
  Ni  Ni227  1  0.200300  0.731059  0.486912  1
  Ni  Ni228  1  0.777897  0.520562  0.532337  1
  Ni  Ni229  1  0.777970  0.020475  0.532298  1
  Ni  Ni230  1  0.200185  0.231154  0.486932  1
  Ni  Ni231  1  0.277970  0.520475  0.532298  1
  Ni  Ni232  1  0.700185  0.731154  0.486932  1
  Ni  Ni233  1  0.768955  0.266287  0.533297  1
  Ni  Ni234  1  0.191386  0.476815  0.487850  1
  Ni  Ni235  1  0.268955  0.766287  0.533297  1
  Ni  Ni236  1  0.691386  0.976815  0.487850  1
  Ni  Ni237  1  0.421048  0.591046  0.462990  1
  Ni  Ni238  1  0.998558  0.380521  0.508466  1
  Ni  Ni239  1  0.921048  0.091046  0.462990  1
  Ni  Ni240  1  0.498558  0.880521  0.508466  1
  Ni  Ni241  1  0.710926  0.862067  0.566502  1
  Ni  Ni242  1  0.289568  0.652724  0.611403  1
  Ni  Ni243  1  0.210926  0.362067  0.566502  1
  Ni  Ni244  1  0.789568  0.152724  0.611403  1
  Ni  Ni245  1  0.566704  0.915125  0.555081  1
  Ni  Ni246  1  0.143860  0.704242  0.600673  1
  Ni  Ni247  1  0.066704  0.415125  0.555081  1
  Ni  Ni248  1  0.643860  0.204242  0.600673  1
  Ni  Ni249  1  0.643150  0.703930  0.600916  1
  Ni  Ni250  1  0.066500  0.915186  0.555104  1
  Ni  Ni251  1  0.143150  0.203930  0.600916  1
  Ni  Ni252  1  0.566500  0.415186  0.555104  1
  Ni  Ni253  1  0.635277  0.949823  0.601644  1
  Ni  Ni254  1  0.057586  0.160895  0.556069  1
  Ni  Ni255  1  0.135277  0.449823  0.601644  1
  Ni  Ni256  1  0.557586  0.660895  0.556069  1
  Ni  Ni257  1  0.865077  0.064691  0.576527  1
  Ni  Ni258  1  0.442084  0.853769  0.622442  1
  Ni  Ni259  1  0.365077  0.564691  0.576527  1
  Ni  Ni260  1  0.942084  0.353769  0.622442  1
  Ni  Ni261  1  1.000094  0.756883  0.589132  1
  Ni  Ni262  1  0.422905  0.968287  0.543472  1
  Ni  Ni263  1  0.500094  0.256883  0.589132  1
  Ni  Ni264  1  0.922905  0.468287  0.543472  1
  Ni  Ni265  1  0.856670  0.810419  0.577390  1
  Ni  Ni266  1  0.433221  0.600707  0.623190  1
  Ni  Ni267  1  0.356670  0.310419  0.577390  1
  Ni  Ni268  1  0.933221  0.100707  0.623190  1
  Ni  Ni269  1  0.933146  0.598229  0.623270  1
  Ni  Ni270  1  0.356102  0.810532  0.577512  1
  Ni  Ni271  1  0.433146  0.098229  0.623270  1
  Ni  Ni272  1  0.856102  0.310532  0.577512  1
  Ni  Ni273  1  0.924583  0.844314  0.623905  1
  Ni  Ni274  1  0.347002  0.055409  0.578495  1
  Ni  Ni275  1  0.424583  0.344314  0.623905  1
  Ni  Ni276  1  0.847002  0.555409  0.578495  1
  Ni  Ni277  1  0.575886  0.169662  0.554091  1
  Ni  Ni278  1  0.152641  0.959075  0.599781  1
  Ni  Ni279  1  0.075886  0.669662  0.554091  1
  Ni  Ni280  1  0.652641  0.459075  0.599781  1
  Ni  Ni281  1  0.865119  0.439290  0.657759  1
  Ni  Ni282  1  0.444153  0.227319  0.704655  1
  Ni  Ni283  1  0.365119  0.939290  0.657759  1
  Ni  Ni284  1  0.944153  0.727319  0.704655  1
  Ni  Ni285  1  0.723029  0.495780  0.645374  1
  Ni  Ni286  1  0.302616  0.285121  0.689719  1
  Ni  Ni287  1  0.223029  0.995780  0.645374  1
  Ni  Ni288  1  0.802616  0.785121  0.689719  1
  Ni  Ni289  1  0.794669  0.280556  0.693082  1
  Ni  Ni290  1  0.224809  0.494372  0.645175  1
  Ni  Ni291  1  0.294669  0.780556  0.693082  1
  Ni  Ni292  1  0.724809  0.994372  0.645175  1
  Ni  Ni293  1  0.790016  0.528818  0.691730  1
  Ni  Ni294  1  0.213451  0.739436  0.646330  1
  Ni  Ni295  1  0.290016  0.028818  0.691730  1
  Ni  Ni296  1  0.713451  0.239436  0.646330  1
  Ni  Ni297  1  0.019237  0.642443  0.668090  1
  Ni  Ni298  1  0.604918  0.437637  0.713195  1
  Ni  Ni299  1  0.519237  0.142443  0.668090  1
  Ni  Ni300  1  0.104918  0.937637  0.713195  1
  Ni  Ni301  1  0.156404  0.336950  0.679679  1
  Ni  Ni302  1  0.575153  0.545605  0.635366  1
  Ni  Ni303  1  0.656404  0.836950  0.679679  1
  Ni  Ni304  1  0.075153  0.045605  0.635366  1
  Ni  Ni305  1  0.008613  0.386582  0.669740  1
  Ni  Ni306  1  0.602276  0.184872  0.713228  1
  Ni  Ni307  1  0.508613  0.886582  0.669740  1
  Ni  Ni308  1  0.102276  0.684872  0.713228  1
  Ni  Ni309  1  0.094910  0.179532  0.714570  1
  Ni  Ni310  1  0.508564  0.387091  0.669879  1
  Ni  Ni311  1  0.594910  0.679532  0.714570  1
  Ni  Ni312  1  0.008564  0.887091  0.669879  1
  Ni  Ni313  1  0.085246  0.430646  0.714744  1
  Ni  Ni314  1  0.500336  0.635920  0.671259  1
  Ni  Ni315  1  0.585246  0.930646  0.714744  1
  Ni  Ni316  1  1.000336  0.135920  0.671259  1
  Ni  Ni317  1  0.732098  0.749194  0.644596  1
  Ni  Ni318  1  0.311302  0.541126  0.689074  1
  Ni  Ni319  1  0.232098  0.249194  0.644596  1
  Ni  Ni320  1  0.811302  0.041126  0.689074  1
