# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.57160763
_cell_length_b   10.63410084
_cell_length_c   54.21260944
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.32281309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al120 Ni200'
_cell_volume   7825.51814243
_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  0.616479  0.806521  0.362206  1
  Al  Al2  1  0.038385  0.013557  0.318811  1
  Al  Al3  1  0.932109  0.707371  0.272019  1
  Al  Al4  1  0.534867  0.511411  0.318309  1
  Al  Al5  1  0.541363  0.253325  0.319863  1
  Al  Al6  1  0.953855  0.461798  0.275910  1
  Al  Al7  1  0.040408  0.752894  0.320402  1
  Al  Al8  1  0.456429  0.970290  0.275622  1
  Al  Al9  1  0.612773  0.064405  0.360018  1
  Al  Al10  1  0.032132  0.275923  0.317072  1
  Al  Al11  1  0.112690  0.563968  0.360482  1
  Al  Al12  1  0.532118  0.776440  0.316461  1
  Al  Al13  1  0.322867  0.908692  0.341292  1
  Al  Al14  1  0.759249  0.122418  0.290282  1
  Al  Al15  1  0.820812  0.407293  0.341927  1
  Al  Al16  1  0.255436  0.621561  0.290274  1
  Al  Al17  1  0.249819  0.356501  0.296116  1
  Al  Al18  1  0.828237  0.147653  0.342969  1
  Al  Al19  1  0.752395  0.858463  0.295789  1
  Al  Al20  1  0.329073  0.648358  0.342414  1
  Al  Al21  1  0.321401  0.170488  0.338524  1
  Al  Al22  1  0.750266  0.384400  0.291344  1
  Al  Al23  1  0.820348  0.669370  0.339302  1
  Al  Al24  1  0.245497  0.881186  0.291635  1
  Al  Al25  1  0.769422  0.382432  0.454579  1
  Al  Al26  1  0.192791  0.593195  0.408615  1
  Al  Al27  1  0.115106  0.306110  0.362935  1
  Al  Al28  1  0.691771  0.092705  0.408902  1
  Al  Al29  1  0.695315  0.834188  0.410925  1
  Al  Al30  1  0.118786  0.044606  0.365189  1
  Al  Al31  1  0.195790  0.334275  0.410700  1
  Al  Al32  1  0.618942  0.544258  0.364528  1
  Al  Al33  1  0.765913  0.642183  0.452514  1
  Al  Al34  1  0.189146  0.852660  0.406658  1
  Al  Al35  1  0.266462  0.142514  0.452212  1
  Al  Al36  1  0.688827  0.352513  0.406796  1
  Al  Al37  1  0.482566  0.488798  0.430894  1
  Al  Al38  1  0.902720  0.698463  0.386578  1
  Al  Al39  1  0.981391  0.988139  0.431439  1
  Al  Al40  1  0.403076  0.198492  0.386153  1
  Al  Al41  1  0.407146  0.940021  0.388223  1
  Al  Al42  1  0.984763  0.728467  0.433496  1
  Al  Al43  1  0.906139  0.439349  0.388705  1
  Al  Al44  1  0.485367  0.228707  0.433065  1
  Al  Al45  1  0.478502  0.747947  0.429029  1
  Al  Al46  1  0.899294  0.957544  0.384328  1
  Al  Al47  1  0.977716  0.247695  0.429508  1
  Al  Al48  1  0.400505  0.458175  0.383806  1
  Al  Al49  1  0.925247  0.961752  0.545082  1
  Al  Al50  1  0.348042  0.172435  0.499383  1
  Al  Al51  1  0.269753  0.882462  0.454290  1
  Al  Al52  1  0.847200  0.671958  0.499839  1
  Al  Al53  1  0.850725  0.412534  0.501889  1
  Al  Al54  1  0.273691  0.623425  0.456221  1
  Al  Al55  1  0.351360  0.912782  0.501467  1
  Al  Al56  1  0.773064  0.123025  0.456551  1
  Al  Al57  1  0.921335  0.220774  0.543146  1
  Al  Al58  1  0.344398  0.431657  0.497357  1
  Al  Al59  1  0.421902  0.721173  0.542833  1
  Al  Al60  1  0.843767  0.931435  0.497784  1
  Al  Al61  1  0.636021  0.066585  0.522571  1
  Al  Al62  1  0.058824  0.277623  0.476931  1
  Al  Al63  1  0.135970  0.566446  0.522500  1
  Al  Al64  1  0.558733  0.777436  0.476866  1
  Al  Al65  1  0.562286  0.518030  0.478892  1
  Al  Al66  1  0.139656  0.307351  0.524524  1
  Al  Al67  1  0.062189  0.017950  0.478975  1
  Al  Al68  1  0.639449  0.807141  0.524637  1
  Al  Al69  1  0.632521  0.326135  0.520531  1
  Al  Al70  1  0.055241  0.536817  0.474890  1
  Al  Al71  1  0.132643  0.826228  0.520451  1
  Al  Al72  1  0.555426  0.037005  0.474780  1
  Al  Al73  1  0.080281  0.538805  0.635863  1
  Al  Al74  1  0.502561  0.751146  0.590690  1
  Al  Al75  1  0.425472  0.461699  0.544817  1
  Al  Al76  1  1.001548  0.250629  0.590996  1
  Al  Al77  1  0.005538  0.991465  0.592886  1
  Al  Al78  1  0.428951  0.201949  0.546888  1
  Al  Al79  1  0.505843  0.491587  0.592728  1
  Al  Al80  1  0.928458  0.701668  0.547172  1
  Al  Al81  1  0.075912  0.799331  0.634008  1
  Al  Al82  1  0.499290  0.009947  0.588613  1
  Al  Al83  1  0.576033  0.299835  0.634575  1
  Al  Al84  1  0.998782  0.509819  0.588838  1
  Al  Al85  1  0.792100  0.646080  0.613083  1
  Al  Al86  1  0.213909  0.856371  0.567735  1
  Al  Al87  1  0.292204  0.145820  0.612770  1
  Al  Al88  1  0.712811  0.355742  0.568214  1
  Al  Al89  1  0.716788  0.096277  0.570126  1
  Al  Al90  1  0.295646  0.886597  0.615061  1
  Al  Al91  1  0.217511  0.596589  0.569683  1
  Al  Al92  1  0.794482  0.385936  0.615482  1
  Al  Al93  1  0.788094  0.904165  0.611091  1
  Al  Al94  1  0.210282  0.115659  0.565752  1
  Al  Al95  1  0.289094  0.404802  0.610615  1
  Al  Al96  1  0.709737  0.615512  0.566134  1
  Al  Al97  1  0.263462  0.139728  0.727633  1
  Al  Al98  1  0.661925  0.333806  0.680601  1
  Al  Al99  1  0.579198  0.038516  0.636541  1
  Al  Al100  1  0.157060  0.831018  0.680268  1
  Al  Al101  1  0.162094  0.567551  0.681513  1
  Al  Al102  1  0.583065  0.780163  0.639028  1
  Al  Al103  1  0.662595  0.067639  0.682224  1
  Al  Al104  1  0.082940  0.280721  0.638593  1
  Al  Al105  1  0.241805  0.388415  0.723761  1
  Al  Al106  1  0.654440  0.590465  0.679177  1
  Al  Al107  1  0.738749  0.877441  0.724038  1
  Al  Al108  1  0.155006  0.091103  0.678755  1
  Al  Al109  1  0.947023  0.226327  0.707636  1
  Al  Al110  1  0.373165  0.436745  0.657851  1
  Al  Al111  1  0.441620  0.724730  0.707863  1
  Al  Al112  1  0.870364  0.935098  0.658716  1
  Al  Al113  1  0.873061  0.673398  0.661178  1
  Al  Al114  1  0.445417  0.460279  0.707730  1
  Al  Al115  1  0.373970  0.174446  0.660390  1
  Al  Al116  1  0.950569  0.963737  0.707558  1
  Al  Al117  1  0.945552  0.487495  0.702936  1
  Al  Al118  1  0.365938  0.697030  0.656893  1
  Al  Al119  1  0.442735  0.985076  0.703021  1
  Al  Al120  1  0.864868  0.195896  0.657500  1
  Ni  Ni121  1  0.241254  0.118634  0.294531  1
  Ni  Ni122  1  0.824101  0.907838  0.341087  1
  Ni  Ni123  1  0.750590  0.624478  0.293232  1
  Ni  Ni124  1  0.327435  0.408576  0.340091  1
  Ni  Ni125  1  0.089316  0.164891  0.284287  1
  Ni  Ni126  1  0.685162  0.965772  0.327222  1
  Ni  Ni127  1  0.593718  0.667348  0.284131  1
  Ni  Ni128  1  0.185425  0.465246  0.327664  1
  Ni  Ni129  1  0.182690  0.961417  0.328719  1
  Ni  Ni130  1  0.605550  0.173647  0.283409  1
  Ni  Ni131  1  0.684058  0.464195  0.327762  1
  Ni  Ni132  1  0.098240  0.670856  0.283335  1
  Ni  Ni133  1  0.171892  0.208824  0.330197  1
  Ni  Ni134  1  0.591236  0.414692  0.284680  1
  Ni  Ni135  1  0.672275  0.707304  0.329239  1
  Ni  Ni136  1  0.084680  0.910230  0.284579  1
  Ni  Ni137  1  0.403696  0.317597  0.303819  1
  Ni  Ni138  1  0.978839  0.110784  0.351529  1
  Ni  Ni139  1  0.902864  0.822723  0.306808  1
  Ni  Ni140  1  0.479463  0.611724  0.351003  1
  Ni  Ni141  1  0.535928  0.015161  0.317991  1
  Ni  Ni142  1  0.944590  0.226211  0.274079  1
  Ni  Ni143  1  0.036757  0.514309  0.318455  1
  Ni  Ni144  1  0.447526  0.731293  0.273693  1
  Ni  Ni145  1  0.389483  0.069024  0.307413  1
  Ni  Ni146  1  0.969851  0.855411  0.352537  1
  Ni  Ni147  1  0.890156  0.566044  0.308844  1
  Ni  Ni148  1  0.470461  0.354727  0.352013  1
  Ni  Ni149  1  0.468434  0.856882  0.352224  1
  Ni  Ni150  1  0.895211  0.064089  0.307277  1
  Ni  Ni151  1  0.967576  0.356554  0.352779  1
  Ni  Ni152  1  0.394136  0.564827  0.306285  1
  Ni  Ni153  1  0.460654  0.102298  0.353056  1
  Ni  Ni154  1  0.881092  0.312728  0.309911  1
  Ni  Ni155  1  0.960066  0.601187  0.353565  1
  Ni  Ni156  1  0.380533  0.813363  0.309058  1
  Ni  Ni157  1  0.107826  0.422196  0.282938  1
  Ni  Ni158  1  0.694227  0.214611  0.326077  1
  Ni  Ni159  1  0.610164  0.924615  0.282658  1
  Ni  Ni160  1  0.193270  0.714419  0.326357  1
  Ni  Ni161  1  0.403580  0.698316  0.386125  1
  Ni  Ni162  1  0.981165  0.488411  0.431507  1
  Ni  Ni163  1  0.902889  0.197961  0.386576  1
  Ni  Ni164  1  0.482390  0.989202  0.430996  1
  Ni  Ni165  1  0.259521  0.750412  0.374681  1
  Ni  Ni166  1  0.835504  0.540371  0.420622  1
  Ni  Ni167  1  0.758449  0.249429  0.375119  1
  Ni  Ni168  1  0.336267  0.040529  0.420260  1
  Ni  Ni169  1  0.336837  0.540382  0.420092  1
  Ni  Ni170  1  0.757331  0.750874  0.375077  1
  Ni  Ni171  1  0.835998  0.040140  0.420488  1
  Ni  Ni172  1  0.258951  0.252225  0.374566  1
  Ni  Ni173  1  0.327937  0.786370  0.421111  1
  Ni  Ni174  1  0.749394  0.996655  0.375815  1
  Ni  Ni175  1  0.827041  0.285682  0.421499  1
  Ni  Ni176  1  0.250711  0.496788  0.375340  1
  Ni  Ni177  1  0.557856  0.901053  0.395755  1
  Ni  Ni178  1  0.134745  0.689694  0.441811  1
  Ni  Ni179  1  0.057081  0.401044  0.396290  1
  Ni  Ni180  1  0.634795  0.190048  0.441882  1
  Ni  Ni181  1  0.691477  0.593077  0.408985  1
  Ni  Ni182  1  0.116921  0.804064  0.362785  1
  Ni  Ni183  1  0.192415  0.093850  0.408756  1
  Ni  Ni184  1  0.618510  0.305482  0.362094  1
  Ni  Ni185  1  0.549711  0.647457  0.396670  1
  Ni  Ni186  1  0.125681  0.435655  0.442793  1
  Ni  Ni187  1  0.048452  0.146619  0.397279  1
  Ni  Ni188  1  0.625427  0.935328  0.442877  1
  Ni  Ni189  1  0.625597  0.435228  0.442859  1
  Ni  Ni190  1  0.049022  0.646352  0.397111  1
  Ni  Ni191  1  0.125801  0.935508  0.442802  1
  Ni  Ni192  1  0.550004  0.147358  0.396557  1
  Ni  Ni193  1  0.616366  0.681047  0.443827  1
  Ni  Ni194  1  0.039588  0.891516  0.398246  1
  Ni  Ni195  1  0.116542  0.181116  0.443789  1
  Ni  Ni196  1  0.540264  0.391570  0.397705  1
  Ni  Ni197  1  0.267846  0.006698  0.373891  1
  Ni  Ni198  1  0.845022  0.795086  0.419513  1
  Ni  Ni199  1  0.767212  0.506740  0.374333  1
  Ni  Ni200  1  0.345846  0.295674  0.419134  1
  Ni  Ni201  1  0.558888  0.277486  0.476834  1
  Ni  Ni202  1  0.135832  0.066458  0.522533  1
  Ni  Ni203  1  0.058898  0.777523  0.476910  1
  Ni  Ni204  1  0.635838  0.566507  0.522608  1
  Ni  Ni205  1  0.415253  0.330701  0.465178  1
  Ni  Ni206  1  0.991966  0.119661  0.511035  1
  Ni  Ni207  1  0.914332  0.830092  0.465652  1
  Ni  Ni208  1  0.492234  0.619627  0.510855  1
  Ni  Ni209  1  0.492328  0.119612  0.510838  1
  Ni  Ni210  1  0.914212  0.330049  0.465704  1
  Ni  Ni211  1  0.992017  0.619504  0.511029  1
  Ni  Ni212  1  0.415224  0.830722  0.465205  1
  Ni  Ni213  1  0.483085  0.365014  0.511812  1
  Ni  Ni214  1  0.905220  0.575702  0.466676  1
  Ni  Ni215  1  0.982829  0.864864  0.512006  1
  Ni  Ni216  1  0.405832  0.075885  0.466242  1
  Ni  Ni217  1  0.711755  0.479130  0.487585  1
  Ni  Ni218  1  0.289904  0.268471  0.532581  1
  Ni  Ni219  1  0.212046  0.979284  0.487384  1
  Ni  Ni220  1  0.789357  0.768371  0.532995  1
  Ni  Ni221  1  0.847120  0.171876  0.499853  1
  Ni  Ni222  1  0.269776  0.382595  0.454220  1
  Ni  Ni223  1  0.348163  0.672560  0.499374  1
  Ni  Ni224  1  0.769352  0.882387  0.454533  1
  Ni  Ni225  1  0.702571  0.224443  0.488555  1
  Ni  Ni226  1  0.280974  0.014360  0.533573  1
  Ni  Ni227  1  0.202892  0.724462  0.488364  1
  Ni  Ni228  1  0.780105  0.513793  0.534017  1
  Ni  Ni229  1  0.780165  0.013692  0.533996  1
  Ni  Ni230  1  0.202798  0.224568  0.488378  1
  Ni  Ni231  1  0.281138  0.514371  0.533511  1
  Ni  Ni232  1  0.702461  0.724453  0.488576  1
  Ni  Ni233  1  0.771201  0.259621  0.534984  1
  Ni  Ni234  1  0.194143  0.470469  0.489289  1
  Ni  Ni235  1  0.271870  0.759820  0.534550  1
  Ni  Ni236  1  0.693627  0.970013  0.489493  1
  Ni  Ni237  1  0.423988  0.584567  0.464230  1
  Ni  Ni238  1  1.000802  0.373733  0.510105  1
  Ni  Ni239  1  0.923299  0.084422  0.464689  1
  Ni  Ni240  1  0.501274  0.874158  0.509911  1
  Ni  Ni241  1  0.713059  0.855267  0.568177  1
  Ni  Ni242  1  0.292282  0.646445  0.612730  1
  Ni  Ni243  1  0.214250  0.356059  0.567689  1
  Ni  Ni244  1  0.791654  0.145924  0.613135  1
  Ni  Ni245  1  0.569187  0.908575  0.556609  1
  Ni  Ni246  1  0.147142  0.698219  0.601812  1
  Ni  Ni247  1  0.068948  0.408269  0.556691  1
  Ni  Ni248  1  0.646050  0.197397  0.602335  1
  Ni  Ni249  1  0.645492  0.697123  0.602563  1
  Ni  Ni250  1  0.068726  0.908350  0.556706  1
  Ni  Ni251  1  0.146452  0.198171  0.602047  1
  Ni  Ni252  1  0.568918  0.408640  0.556634  1
  Ni  Ni253  1  0.637585  0.943082  0.603309  1
  Ni  Ni254  1  0.060048  0.154554  0.557674  1
  Ni  Ni255  1  0.138339  0.443152  0.602809  1
  Ni  Ni256  1  0.559961  0.654166  0.557598  1
  Ni  Ni257  1  0.867159  0.057815  0.578244  1
  Ni  Ni258  1  0.444950  0.847338  0.623866  1
  Ni  Ni259  1  0.367964  0.558517  0.577874  1
  Ni  Ni260  1  0.943377  0.347000  0.624354  1
  Ni  Ni261  1  1.001818  0.749664  0.590846  1
  Ni  Ni262  1  0.425545  0.961757  0.544871  1
  Ni  Ni263  1  0.502872  0.250464  0.590601  1
  Ni  Ni264  1  0.925149  0.461538  0.545155  1
  Ni  Ni265  1  0.858813  0.803789  0.579076  1
  Ni  Ni266  1  0.435776  0.594464  0.624602  1
  Ni  Ni267  1  0.359471  0.303754  0.578754  1
  Ni  Ni268  1  0.934594  0.093222  0.625108  1
  Ni  Ni269  1  0.934387  0.590582  0.625207  1
  Ni  Ni270  1  0.358876  0.804091  0.578882  1
  Ni  Ni271  1  0.436199  0.092070  0.624690  1
  Ni  Ni272  1  0.858090  0.303785  0.579238  1
  Ni  Ni273  1  0.926526  0.837735  0.625800  1
  Ni  Ni274  1  0.349820  0.049042  0.579867  1
  Ni  Ni275  1  0.427264  0.337394  0.625295  1
  Ni  Ni276  1  0.849052  0.548458  0.580184  1
  Ni  Ni277  1  0.578358  0.163040  0.555622  1
  Ni  Ni278  1  0.155537  0.952552  0.600969  1
  Ni  Ni279  1  0.078183  0.662987  0.555666  1
  Ni  Ni280  1  0.655001  0.452679  0.601421  1
  Ni  Ni281  1  0.864742  0.432414  0.660175  1
  Ni  Ni282  1  0.444858  0.219568  0.705989  1
  Ni  Ni283  1  0.368390  0.933314  0.659109  1
  Ni  Ni284  1  0.956076  0.726072  0.704819  1
  Ni  Ni285  1  0.725178  0.489837  0.647037  1
  Ni  Ni286  1  0.303863  0.278332  0.690850  1
  Ni  Ni287  1  0.225489  0.988874  0.646719  1
  Ni  Ni288  1  0.805212  0.774439  0.692537  1
  Ni  Ni289  1  0.797516  0.273379  0.695306  1
  Ni  Ni290  1  0.227958  0.487846  0.646356  1
  Ni  Ni291  1  0.295824  0.774077  0.694236  1
  Ni  Ni292  1  0.727001  0.987524  0.646921  1
  Ni  Ni293  1  0.791571  0.527163  0.695969  1
  Ni  Ni294  1  0.215985  0.733430  0.647657  1
  Ni  Ni295  1  0.291586  0.021553  0.692957  1
  Ni  Ni296  1  0.715506  0.232349  0.648032  1
  Ni  Ni297  1  0.022773  0.635088  0.668840  1
  Ni  Ni298  1  0.603939  0.428921  0.714315  1
  Ni  Ni299  1  0.522784  0.137117  0.669695  1
  Ni  Ni300  1  0.111313  0.934744  0.714659  1
  Ni  Ni301  1  0.158195  0.330506  0.680861  1
  Ni  Ni302  1  0.577092  0.538863  0.636969  1
  Ni  Ni303  1  0.660060  0.829698  0.681278  1
  Ni  Ni304  1  0.078771  0.040363  0.636318  1
  Ni  Ni305  1  0.010577  0.380281  0.670920  1
  Ni  Ni306  1  0.602888  0.177044  0.714553  1
  Ni  Ni307  1  0.511616  0.879823  0.671324  1
  Ni  Ni308  1  0.109499  0.679367  0.714716  1
  Ni  Ni309  1  0.099786  0.174297  0.715841  1
  Ni  Ni310  1  0.511418  0.379959  0.671360  1
  Ni  Ni311  1  0.592388  0.670354  0.715638  1
  Ni  Ni312  1  0.012380  0.882927  0.670467  1
  Ni  Ni313  1  0.088943  0.425181  0.716024  1
  Ni  Ni314  1  0.502014  0.629433  0.672760  1
  Ni  Ni315  1  0.586907  0.922479  0.716178  1
  Ni  Ni316  1  1.002696  0.129173  0.672408  1
  Ni  Ni317  1  0.734594  0.741978  0.646260  1
  Ni  Ni318  1  0.312997  0.534086  0.690153  1
  Ni  Ni319  1  0.234999  0.243233  0.645811  1
  Ni  Ni320  1  0.813360  0.033773  0.691432  1
