# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.79218361
_cell_length_b   12.78955546
_cell_length_c   46.79825981
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al72 Ni216'
_cell_volume   7285.04436371
_cell_formula_units_Z   72
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  0.892054  0.225067  0.285710  1
  Al  Al2  1  0.223965  0.893173  0.285712  1
  Al  Al3  1  0.147478  0.148551  0.322414  1
  Al  Al4  1  0.517848  0.185219  0.302969  1
  Al  Al5  1  0.850273  0.851348  0.302798  1
  Al  Al6  1  0.184144  0.518928  0.302969  1
  Al  Al7  1  0.555927  0.557029  0.285334  1
  Al  Al8  1  0.480426  0.813510  0.326520  1
  Al  Al9  1  0.812425  0.481509  0.326519  1
  Al  Al10  1  0.773691  0.108487  0.343900  1
  Al  Al11  1  0.107419  0.774760  0.343900  1
  Al  Al12  1  0.028428  0.029480  0.380079  1
  Al  Al13  1  0.401338  0.068915  0.361732  1
  Al  Al14  1  0.734581  0.735635  0.361815  1
  Al  Al15  1  0.067859  0.402391  0.361732  1
  Al  Al16  1  0.440487  0.441555  0.343959  1
  Al  Al17  1  0.361637  0.696246  0.380119  1
  Al  Al18  1  0.695197  0.362686  0.380119  1
  Al  Al19  1  0.656285  0.990503  0.398518  1
  Al  Al20  1  0.989467  0.657322  0.398518  1
  Al  Al21  1  0.910625  0.911647  0.435819  1
  Al  Al22  1  0.283031  0.951551  0.417309  1
  Al  Al23  1  0.616628  0.617659  0.417685  1
  Al  Al24  1  0.950521  0.284062  0.417308  1
  Al  Al25  1  0.322568  0.323604  0.398269  1
  Al  Al26  1  0.243920  0.578337  0.435826  1
  Al  Al27  1  0.577315  0.244942  0.435826  1
  Al  Al28  1  0.538046  0.872460  0.454480  1
  Al  Al29  1  0.871448  0.539058  0.454480  1
  Al  Al30  1  0.792803  0.793797  0.491505  1
  Al  Al31  1  0.165350  0.833135  0.472951  1
  Al  Al32  1  0.498706  0.499709  0.472950  1
  Al  Al33  1  0.832131  0.166354  0.472951  1
  Al  Al34  1  0.204679  0.205692  0.454239  1
  Al  Al35  1  0.126093  0.460441  0.491393  1
  Al  Al36  1  0.459447  0.127087  0.491393  1
  Al  Al37  1  0.420038  0.754492  0.510139  1
  Al  Al38  1  0.753506  0.421025  0.510139  1
  Al  Al39  1  0.674882  0.675850  0.547293  1
  Al  Al40  1  0.047445  0.715173  0.528561  1
  Al  Al41  1  0.380798  0.381774  0.528500  1
  Al  Al42  1  0.714197  0.048422  0.528561  1
  Al  Al43  1  0.086753  0.087740  0.510059  1
  Al  Al44  1  0.008165  0.342464  0.547096  1
  Al  Al45  1  0.341496  0.009133  0.547096  1
  Al  Al46  1  0.302220  0.636599  0.565646  1
  Al  Al47  1  0.635642  0.303178  0.565646  1
  Al  Al48  1  0.556883  0.557826  0.603058  1
  Al  Al49  1  0.929054  0.597406  0.584281  1
  Al  Al50  1  0.262767  0.263719  0.584080  1
  Al  Al51  1  0.596457  0.930005  0.584280  1
  Al  Al52  1  0.968942  0.969900  0.565671  1
  Al  Al53  1  0.890123  0.224347  0.603066  1
  Al  Al54  1  0.223404  0.891066  0.603066  1
  Al  Al55  1  0.184404  0.518796  0.621281  1
  Al  Al56  1  0.517865  0.185335  0.621281  1
  Al  Al57  1  0.438985  0.439894  0.657420  1
  Al  Al58  1  0.811912  0.479036  0.639736  1
  Al  Al59  1  0.145038  0.145964  0.639612  1
  Al  Al60  1  0.478109  0.812838  0.639736  1
  Al  Al61  1  0.851025  0.851955  0.621386  1
  Al  Al62  1  0.772455  0.106909  0.657503  1
  Al  Al63  1  0.105999  0.773366  0.657503  1
  Al  Al64  1  0.064308  0.402031  0.676325  1
  Al  Al65  1  0.401127  0.065215  0.676319  1
  Al  Al66  1  0.324658  0.325527  0.716051  1
  Al  Al67  1  0.695560  0.362660  0.698244  1
  Al  Al68  1  0.029045  0.029948  0.698746  1
  Al  Al69  1  0.361760  0.696466  0.698244  1
  Al  Al70  1  0.732093  0.733006  0.678891  1
  Al  Al71  1  0.653255  0.989186  0.715184  1
  Al  Al72  1  0.988326  0.654118  0.715185  1
  Ni  Ni73  1  0.706379  0.207121  0.298055  1
  Ni  Ni74  1  0.038453  0.871757  0.298089  1
  Ni  Ni75  1  0.958768  0.128238  0.334118  1
  Ni  Ni76  1  0.333632  0.165926  0.315146  1
  Ni  Ni77  1  0.665311  0.833486  0.315027  1
  Ni  Ni78  1  0.998316  0.501938  0.315457  1
  Ni  Ni79  1  0.371820  0.540014  0.298129  1
  Ni  Ni80  1  0.415674  0.909175  0.281755  1
  Ni  Ni81  1  0.743976  0.579297  0.281463  1
  Ni  Ni82  1  0.870668  0.039541  0.298090  1
  Ni  Ni83  1  0.206036  0.707475  0.298056  1
  Ni  Ni84  1  0.127163  0.959847  0.334117  1
  Ni  Ni85  1  0.500870  0.999386  0.315457  1
  Ni  Ni86  1  0.832420  0.666378  0.315027  1
  Ni  Ni87  1  0.164858  0.334707  0.315148  1
  Ni  Ni88  1  0.538925  0.372909  0.298130  1
  Ni  Ni89  1  0.578166  0.745110  0.281463  1
  Ni  Ni90  1  0.908042  0.416806  0.281754  1
  Ni  Ni91  1  0.685160  0.019930  0.306786  1
  Ni  Ni92  1  0.018854  0.686239  0.306786  1
  Ni  Ni93  1  0.053958  0.055075  0.290053  1
  Ni  Ni94  1  0.311763  0.980204  0.324607  1
  Ni  Ni95  1  0.644547  0.645633  0.325567  1
  Ni  Ni96  1  0.979126  0.312840  0.324602  1
  Ni  Ni97  1  0.352344  0.353423  0.307084  1
  Ni  Ni98  1  0.392307  0.725707  0.289297  1
  Ni  Ni99  1  0.724600  0.393412  0.289297  1
  Ni  Ni100  1  0.587068  0.089865  0.351874  1
  Ni  Ni101  1  0.920401  0.756363  0.351742  1
  Ni  Ni102  1  0.842508  0.009565  0.389435  1
  Ni  Ni103  1  0.214186  0.050595  0.370458  1
  Ni  Ni104  1  0.548273  0.715781  0.371643  1
  Ni  Ni105  1  0.882597  0.381820  0.371233  1
  Ni  Ni106  1  0.253324  0.422685  0.351659  1
  Ni  Ni107  1  0.293056  0.794914  0.333860  1
  Ni  Ni108  1  0.625795  0.461635  0.333841  1
  Ni  Ni109  1  0.755307  0.921457  0.351741  1
  Ni  Ni110  1  0.088808  0.588124  0.351873  1
  Ni  Ni111  1  0.008519  0.843554  0.389435  1
  Ni  Ni112  1  0.380765  0.883650  0.371235  1
  Ni  Ni113  1  0.714724  0.549330  0.371643  1
  Ni  Ni114  1  0.049540  0.215241  0.370456  1
  Ni  Ni115  1  0.421627  0.254382  0.351658  1
  Ni  Ni116  1  0.460563  0.626869  0.333840  1
  Ni  Ni117  1  0.793841  0.294129  0.333859  1
  Ni  Ni118  1  0.568989  0.903077  0.361773  1
  Ni  Ni119  1  0.902023  0.570042  0.361773  1
  Ni  Ni120  1  0.939749  0.940816  0.342717  1
  Ni  Ni121  1  0.195412  0.863401  0.380374  1
  Ni  Ni122  1  0.528650  0.529700  0.380421  1
  Ni  Ni123  1  0.862349  0.196463  0.380374  1
  Ni  Ni124  1  0.235031  0.236084  0.361027  1
  Ni  Ni125  1  0.273014  0.607403  0.342860  1
  Ni  Ni126  1  0.606335  0.274081  0.342861  1
  Ni  Ni127  1  0.469862  0.970698  0.408096  1
  Ni  Ni128  1  0.803114  0.637461  0.408207  1
  Ni  Ni129  1  0.724432  0.892130  0.445063  1
  Ni  Ni130  1  0.096849  0.931424  0.426577  1
  Ni  Ni131  1  0.430143  0.598087  0.426605  1
  Ni  Ni132  1  0.763763  0.264658  0.426608  1
  Ni  Ni133  1  0.136470  0.303760  0.407777  1
  Ni  Ni134  1  0.175765  0.676405  0.389523  1
  Ni  Ni135  1  0.509029  0.342731  0.389464  1
  Ni  Ni136  1  0.636427  0.804148  0.408207  1
  Ni  Ni137  1  0.969665  0.470896  0.408096  1
  Ni  Ni138  1  0.891114  0.725448  0.445063  1
  Ni  Ni139  1  0.263631  0.764789  0.426607  1
  Ni  Ni140  1  0.597061  0.431169  0.426605  1
  Ni  Ni141  1  0.930397  0.097876  0.426577  1
  Ni  Ni142  1  0.302726  0.137503  0.407778  1
  Ni  Ni143  1  0.341685  0.510074  0.389465  1
  Ni  Ni144  1  0.675359  0.176810  0.389524  1
  Ni  Ni145  1  0.449610  0.784521  0.417496  1
  Ni  Ni146  1  0.783491  0.450641  0.417495  1
  Ni  Ni147  1  0.822652  0.823689  0.398552  1
  Ni  Ni148  1  0.077322  0.745122  0.435812  1
  Ni  Ni149  1  0.410570  0.411592  0.435737  1
  Ni  Ni150  1  0.744100  0.078344  0.435812  1
  Ni  Ni151  1  0.116553  0.117585  0.417115  1
  Ni  Ni152  1  0.155914  0.490339  0.398514  1
  Ni  Ni153  1  0.489302  0.156952  0.398515  1
  Ni  Ni154  1  0.351557  0.852935  0.463729  1
  Ni  Ni155  1  0.685152  0.519260  0.463834  1
  Ni  Ni156  1  0.606457  0.774114  0.500877  1
  Ni  Ni157  1  0.979083  0.813434  0.482192  1
  Ni  Ni158  1  0.312379  0.480042  0.482136  1
  Ni  Ni159  1  0.645810  0.146699  0.482182  1
  Ni  Ni160  1  0.018480  0.185936  0.463656  1
  Ni  Ni161  1  0.057693  0.558857  0.445014  1
  Ni  Ni162  1  0.390947  0.225398  0.444894  1
  Ni  Ni163  1  0.518251  0.686160  0.463835  1
  Ni  Ni164  1  0.851927  0.352566  0.463728  1
  Ni  Ni165  1  0.773124  0.607447  0.500877  1
  Ni  Ni166  1  0.145699  0.646809  0.482182  1
  Ni  Ni167  1  0.479042  0.313379  0.482137  1
  Ni  Ni168  1  0.812435  0.980082  0.482192  1
  Ni  Ni169  1  0.184926  0.019489  0.463656  1
  Ni  Ni170  1  0.224382  0.391963  0.444893  1
  Ni  Ni171  1  0.557841  0.058709  0.445014  1
  Ni  Ni172  1  0.331988  0.666471  0.472966  1
  Ni  Ni173  1  0.665467  0.332992  0.472966  1
  Ni  Ni174  1  0.704784  0.705796  0.454548  1
  Ni  Ni175  1  0.959418  0.627160  0.491478  1
  Ni  Ni176  1  0.292733  0.293728  0.491340  1
  Ni  Ni177  1  0.626166  0.960412  0.491478  1
  Ni  Ni178  1  0.998698  0.999702  0.472950  1
  Ni  Ni179  1  0.038190  0.372366  0.454334  1
  Ni  Ni180  1  0.371354  0.039202  0.454334  1
  Ni  Ni181  1  0.233733  0.734857  0.519324  1
  Ni  Ni182  1  0.567158  0.401448  0.519316  1
  Ni  Ni183  1  0.488540  0.656172  0.556571  1
  Ni  Ni184  1  0.861070  0.695574  0.537916  1
  Ni  Ni185  1  0.194433  0.362145  0.537754  1
  Ni  Ni186  1  0.527936  0.028665  0.537836  1
  Ni  Ni187  1  0.900480  0.068120  0.519324  1
  Ni  Ni188  1  0.939813  0.440742  0.500778  1
  Ni  Ni189  1  0.273061  0.107451  0.500689  1
  Ni  Ni190  1  0.400467  0.568139  0.519315  1
  Ni  Ni191  1  0.733876  0.234714  0.519324  1
  Ni  Ni192  1  0.655208  0.489504  0.556571  1
  Ni  Ni193  1  0.027693  0.528908  0.537836  1
  Ni  Ni194  1  0.361172  0.195406  0.537754  1
  Ni  Ni195  1  0.694603  0.862042  0.537916  1
  Ni  Ni196  1  0.067139  0.901461  0.519324  1
  Ni  Ni197  1  0.106460  0.274051  0.500689  1
  Ni  Ni198  1  0.439751  0.940803  0.500778  1
  Ni  Ni199  1  0.214104  0.548491  0.528517  1
  Ni  Ni200  1  0.547515  0.215080  0.528517  1
  Ni  Ni201  1  0.586789  0.587775  0.510176  1
  Ni  Ni202  1  0.841455  0.509104  0.547205  1
  Ni  Ni203  1  0.174770  0.175738  0.547060  1
  Ni  Ni204  1  0.508136  0.842423  0.547204  1
  Ni  Ni205  1  0.880862  0.881838  0.528553  1
  Ni  Ni206  1  0.920169  0.254359  0.510079  1
  Ni  Ni207  1  0.253372  0.921155  0.510079  1
  Ni  Ni208  1  0.115848  0.616884  0.574876  1
  Ni  Ni209  1  0.449269  0.283425  0.574838  1
  Ni  Ni210  1  0.370447  0.538593  0.611920  1
  Ni  Ni211  1  0.743202  0.577656  0.593691  1
  Ni  Ni212  1  0.076383  0.244232  0.593416  1
  Ni  Ni213  1  0.409667  0.910961  0.593488  1
  Ni  Ni214  1  0.782722  0.950065  0.574900  1
  Ni  Ni215  1  0.821927  0.322663  0.556526  1
  Ni  Ni216  1  0.155175  0.989409  0.556496  1
  Ni  Ni217  1  0.282471  0.450223  0.574838  1
  Ni  Ni218  1  0.615931  0.116801  0.574876  1
  Ni  Ni219  1  0.537659  0.371382  0.611919  1
  Ni  Ni220  1  0.910015  0.410614  0.593488  1
  Ni  Ni221  1  0.243284  0.077329  0.593415  1
  Ni  Ni222  1  0.576709  0.744149  0.593691  1
  Ni  Ni223  1  0.949112  0.783675  0.574900  1
  Ni  Ni224  1  0.988445  0.156139  0.556496  1
  Ni  Ni225  1  0.321699  0.822891  0.556526  1
  Ni  Ni226  1  0.096079  0.430814  0.584135  1
  Ni  Ni227  1  0.429863  0.097030  0.584134  1
  Ni  Ni228  1  0.468914  0.469872  0.565663  1
  Ni  Ni229  1  0.723691  0.391168  0.602974  1
  Ni  Ni230  1  0.056921  0.057864  0.602931  1
  Ni  Ni231  1  0.390226  0.724633  0.602974  1
  Ni  Ni232  1  0.762906  0.763857  0.584527  1
  Ni  Ni233  1  0.802277  0.136447  0.565711  1
  Ni  Ni234  1  0.135488  0.803235  0.565711  1
  Ni  Ni235  1  0.996984  0.499666  0.630479  1
  Ni  Ni236  1  0.331913  0.164737  0.630345  1
  Ni  Ni237  1  0.253861  0.419804  0.667457  1
  Ni  Ni238  1  0.625985  0.458730  0.649569  1
  Ni  Ni239  1  0.959317  0.125173  0.649698  1
  Ni  Ni240  1  0.293112  0.792203  0.649792  1
  Ni  Ni241  1  0.664861  0.831254  0.631277  1
  Ni  Ni242  1  0.703896  0.205310  0.611991  1
  Ni  Ni243  1  0.036978  0.872048  0.612036  1
  Ni  Ni244  1  0.163808  0.332842  0.630347  1
  Ni  Ni245  1  0.498741  0.997912  0.630476  1
  Ni  Ni246  1  0.418897  0.254765  0.667458  1
  Ni  Ni247  1  0.791280  0.294034  0.649792  1
  Ni  Ni248  1  0.124250  0.960240  0.649698  1
  Ni  Ni249  1  0.457807  0.626906  0.649569  1
  Ni  Ni250  1  0.830323  0.665792  0.631277  1
  Ni  Ni251  1  0.871114  0.037913  0.612036  1
  Ni  Ni252  1  0.204376  0.704831  0.611990  1
  Ni  Ni253  1  0.977607  0.311746  0.639925  1
  Ni  Ni254  1  0.310818  0.978532  0.639924  1
  Ni  Ni255  1  0.350607  0.351537  0.621024  1
  Ni  Ni256  1  0.606654  0.274217  0.658531  1
  Ni  Ni257  1  0.939826  0.940737  0.658817  1
  Ni  Ni258  1  0.273306  0.607566  0.658531  1
  Ni  Ni259  1  0.644552  0.645478  0.640097  1
  Ni  Ni260  1  0.684259  0.018142  0.621020  1
  Ni  Ni261  1  0.017215  0.685186  0.621020  1
  Ni  Ni262  1  0.881835  0.380641  0.686331  1
  Ni  Ni263  1  0.213285  0.048517  0.686201  1
  Ni  Ni264  1  0.137805  0.301767  0.719731  1
  Ni  Ni265  1  0.508153  0.341442  0.703262  1
  Ni  Ni266  1  0.840326  0.009922  0.703374  1
  Ni  Ni267  1  0.173628  0.674992  0.703316  1
  Ni  Ni268  1  0.545976  0.713932  0.685576  1
  Ni  Ni269  1  0.587213  0.087080  0.667211  1
  Ni  Ni270  1  0.920822  0.753316  0.667213  1
  Ni  Ni271  1  0.047606  0.214193  0.686201  1
  Ni  Ni272  1  0.379733  0.882746  0.686333  1
  Ni  Ni273  1  0.300921  0.138644  0.719731  1
  Ni  Ni274  1  0.674098  0.174510  0.703315  1
  Ni  Ni275  1  0.009032  0.841212  0.703373  1
  Ni  Ni276  1  0.340558  0.509042  0.703261  1
  Ni  Ni277  1  0.713025  0.546880  0.685575  1
  Ni  Ni278  1  0.752413  0.921722  0.667215  1
  Ni  Ni279  1  0.086178  0.588116  0.667213  1
  Ni  Ni280  1  0.860877  0.195195  0.694512  1
  Ni  Ni281  1  0.194295  0.861780  0.694512  1
  Ni  Ni282  1  0.235204  0.236101  0.675691  1
  Ni  Ni283  1  0.487689  0.157296  0.711432  1
  Ni  Ni284  1  0.826244  0.827104  0.711215  1
  Ni  Ni285  1  0.156443  0.488562  0.711433  1
  Ni  Ni286  1  0.526995  0.527894  0.694276  1
  Ni  Ni287  1  0.566775  0.901214  0.677579  1
  Ni  Ni288  1  0.900302  0.567688  0.677579  1
