# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.61361985
_cell_length_b   12.60582190
_cell_length_c   46.10411638
_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   6975.14067643
_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  0.739002  0.074458  0.283485  1
  Al  Al2  1  0.072336  0.741125  0.283485  1
  Al  Al3  1  0.994168  0.996053  0.317701  1
  Al  Al4  1  0.367097  0.035693  0.300430  1
  Al  Al5  1  0.700430  0.702360  0.300430  1
  Al  Al6  1  0.033763  0.369026  0.300430  1
  Al  Al7  1  0.405669  0.407792  0.283485  1
  Al  Al8  1  0.327502  0.662720  0.317701  1
  Al  Al9  1  0.660835  0.329386  0.317701  1
  Al  Al10  1  0.622361  0.957628  0.338974  1
  Al  Al11  1  0.955694  0.624295  0.338974  1
  Al  Al12  1  0.876781  0.878633  0.374056  1
  Al  Al13  1  0.249884  0.918389  0.356362  1
  Al  Al14  1  0.583217  0.585056  0.356362  1
  Al  Al15  1  0.916550  0.251723  0.356362  1
  Al  Al16  1  0.289027  0.290961  0.338974  1
  Al  Al17  1  0.210115  0.545299  0.374056  1
  Al  Al18  1  0.543448  0.211966  0.374056  1
  Al  Al19  1  0.503963  0.839096  0.392575  1
  Al  Al20  1  0.837296  0.505763  0.392575  1
  Al  Al21  1  0.758705  0.760459  0.431089  1
  Al  Al22  1  0.132002  0.800427  0.411570  1
  Al  Al23  1  0.465335  0.467094  0.411570  1
  Al  Al24  1  0.798668  0.133761  0.411570  1
  Al  Al25  1  0.170630  0.172430  0.392575  1
  Al  Al26  1  0.092039  0.427125  0.431089  1
  Al  Al27  1  0.425372  0.093792  0.431089  1
  Al  Al28  1  0.385643  0.720678  0.449263  1
  Al  Al29  1  0.718976  0.387344  0.449263  1
  Al  Al30  1  0.640158  0.641779  0.486562  1
  Al  Al31  1  0.012995  0.681322  0.468141  1
  Al  Al32  1  0.346328  0.347989  0.468141  1
  Al  Al33  1  0.679661  0.014655  0.468141  1
  Al  Al34  1  0.052309  0.054011  0.449263  1
  Al  Al35  1  0.973491  0.308445  0.486562  1
  Al  Al36  1  0.306825  0.975112  0.486562  1
  Al  Al37  1  0.267242  0.602166  0.505515  1
  Al  Al38  1  0.600575  0.268833  0.505515  1
  Al  Al39  1  0.521563  0.523088  0.542859  1
  Al  Al40  1  0.894442  0.562667  0.524289  1
  Al  Al41  1  0.227775  0.229334  0.524289  1
  Al  Al42  1  0.561109  0.896000  0.524289  1
  Al  Al43  1  0.933909  0.935500  0.505515  1
  Al  Al44  1  0.854897  0.189755  0.542859  1
  Al  Al45  1  0.188230  0.856422  0.542859  1
  Al  Al46  1  0.148982  0.483789  0.561661  1
  Al  Al47  1  0.482316  0.150456  0.561661  1
  Al  Al48  1  0.402662  0.404082  0.599684  1
  Al  Al49  1  0.775691  0.443780  0.579626  1
  Al  Al50  1  0.109024  0.110447  0.579626  1
  Al  Al51  1  0.442357  0.777114  0.579626  1
  Al  Al52  1  0.815649  0.817122  0.561661  1
  Al  Al53  1  0.735995  0.070749  0.599684  1
  Al  Al54  1  0.069329  0.737415  0.599684  1
  Al  Al55  1  0.030591  0.365302  0.618471  1
  Al  Al56  1  0.363924  0.031969  0.618471  1
  Al  Al57  1  0.284663  0.285980  0.654165  1
  Al  Al58  1  0.657814  0.325855  0.637042  1
  Al  Al59  1  0.991147  0.992522  0.637042  1
  Al  Al60  1  0.324480  0.659189  0.637042  1
  Al  Al61  1  0.697258  0.698636  0.618471  1
  Al  Al62  1  0.617997  0.952647  0.654165  1
  Al  Al63  1  0.951330  0.619314  0.654165  1
  Al  Al64  1  0.913059  0.247626  0.670611  1
  Al  Al65  1  0.246392  0.914292  0.670611  1
  Al  Al66  1  0.168216  0.169441  0.709929  1
  Al  Al67  1  0.540911  0.208862  0.692655  1
  Al  Al68  1  0.874244  0.875529  0.692655  1
  Al  Al69  1  0.207577  0.542195  0.692655  1
  Al  Al70  1  0.579726  0.580959  0.670611  1
  Al  Al71  1  0.501550  0.836107  0.709929  1
  Al  Al72  1  0.834883  0.502774  0.709929  1
  Ni  Ni73  1  0.807298  0.978777  0.328673  1
  Ni  Ni74  1  0.140631  0.645444  0.328673  1
  Ni  Ni75  1  0.181353  0.020089  0.311919  1
  Ni  Ni76  1  0.553855  0.055484  0.294461  1
  Ni  Ni77  1  0.887188  0.722151  0.294461  1
  Ni  Ni78  1  0.220521  0.388818  0.294461  1
  Ni  Ni79  1  0.473964  0.312110  0.328673  1
  Ni  Ni80  1  0.514686  0.686756  0.311919  1
  Ni  Ni81  1  0.848019  0.353422  0.311919  1
  Ni  Ni82  1  0.828018  0.163241  0.320065  1
  Ni  Ni83  1  0.161351  0.829907  0.320065  1
  Ni  Ni84  1  0.200417  0.202344  0.303526  1
  Ni  Ni85  1  0.563609  0.232387  0.286505  1
  Ni  Ni86  1  0.896943  0.899054  0.286505  1
  Ni  Ni87  1  0.230276  0.565720  0.286505  1
  Ni  Ni88  1  0.494684  0.496574  0.320065  1
  Ni  Ni89  1  0.533750  0.869011  0.303526  1
  Ni  Ni90  1  0.867083  0.535677  0.303526  1
  Ni  Ni91  1  0.643481  0.142590  0.328671  1
  Ni  Ni92  1  0.976814  0.809257  0.328671  1
  Ni  Ni93  1  0.018271  0.183217  0.311922  1
  Ni  Ni94  1  0.386849  0.222518  0.294462  1
  Ni  Ni95  1  0.720182  0.889185  0.294462  1
  Ni  Ni96  1  0.053515  0.555852  0.294462  1
  Ni  Ni97  1  0.310148  0.475923  0.328671  1
  Ni  Ni98  1  0.351605  0.849884  0.311922  1
  Ni  Ni99  1  0.684938  0.516551  0.311922  1
  Ni  Ni100  1  0.691015  0.858498  0.384608  1
  Ni  Ni101  1  0.024349  0.525165  0.384608  1
  Ni  Ni102  1  0.063288  0.899229  0.364502  1
  Ni  Ni103  1  0.435050  0.938875  0.346619  1
  Ni  Ni104  1  0.768383  0.605542  0.346619  1
  Ni  Ni105  1  0.101717  0.272208  0.346619  1
  Ni  Ni106  1  0.357682  0.191832  0.384608  1
  Ni  Ni107  1  0.396621  0.565896  0.364502  1
  Ni  Ni108  1  0.729954  0.232563  0.364502  1
  Ni  Ni109  1  0.710627  0.045816  0.375197  1
  Ni  Ni110  1  0.043960  0.712482  0.375197  1
  Ni  Ni111  1  0.082234  0.084073  0.355604  1
  Ni  Ni112  1  0.454433  0.123037  0.337532  1
  Ni  Ni113  1  0.787766  0.789703  0.337532  1
  Ni  Ni114  1  0.121099  0.456370  0.337532  1
  Ni  Ni115  1  0.377294  0.379149  0.375197  1
  Ni  Ni116  1  0.415568  0.750740  0.355604  1
  Ni  Ni117  1  0.748901  0.417407  0.355604  1
  Ni  Ni118  1  0.523320  0.026190  0.384609  1
  Ni  Ni119  1  0.856653  0.692857  0.384609  1
  Ni  Ni120  1  0.897387  0.065132  0.364498  1
  Ni  Ni121  1  0.270327  0.103594  0.346614  1
  Ni  Ni122  1  0.603660  0.770260  0.346614  1
  Ni  Ni123  1  0.936993  0.436927  0.346614  1
  Ni  Ni124  1  0.189987  0.359523  0.384609  1
  Ni  Ni125  1  0.230720  0.731799  0.364498  1
  Ni  Ni126  1  0.564053  0.398466  0.364498  1
  Ni  Ni127  1  0.571926  0.740872  0.439822  1
  Ni  Ni128  1  0.905259  0.407539  0.439822  1
  Ni  Ni129  1  0.945086  0.780671  0.421406  1
  Ni  Ni130  1  0.318231  0.819270  0.402528  1
  Ni  Ni131  1  0.651565  0.485937  0.402528  1
  Ni  Ni132  1  0.984898  0.152603  0.402528  1
  Ni  Ni133  1  0.238592  0.074205  0.439822  1
  Ni  Ni134  1  0.278420  0.447338  0.421406  1
  Ni  Ni135  1  0.611753  0.114004  0.421406  1
  Ni  Ni136  1  0.591638  0.926722  0.430775  1
  Ni  Ni137  1  0.924971  0.593389  0.430775  1
  Ni  Ni138  1  0.964778  0.966541  0.411535  1
  Ni  Ni139  1  0.337589  0.006064  0.393500  1
  Ni  Ni140  1  0.670923  0.672731  0.393500  1
  Ni  Ni141  1  0.004256  0.339398  0.393500  1
  Ni  Ni142  1  0.258305  0.260056  0.430775  1
  Ni  Ni143  1  0.298112  0.633208  0.411535  1
  Ni  Ni144  1  0.631445  0.299875  0.411535  1
  Ni  Ni145  1  0.405825  0.906977  0.439820  1
  Ni  Ni146  1  0.739158  0.573644  0.439820  1
  Ni  Ni147  1  0.778926  0.946839  0.421405  1
  Ni  Ni148  1  0.150815  0.986685  0.402528  1
  Ni  Ni149  1  0.484148  0.653352  0.402528  1
  Ni  Ni150  1  0.817482  0.320018  0.402528  1
  Ni  Ni151  1  0.072492  0.240311  0.439820  1
  Ni  Ni152  1  0.112259  0.613506  0.421405  1
  Ni  Ni153  1  0.445593  0.280173  0.421405  1
  Ni  Ni154  1  0.453739  0.621853  0.495986  1
  Ni  Ni155  1  0.787072  0.288520  0.495986  1
  Ni  Ni156  1  0.826686  0.661435  0.477598  1
  Ni  Ni157  1  0.199351  0.701162  0.458596  1
  Ni  Ni158  1  0.532685  0.367828  0.458596  1
  Ni  Ni159  1  0.866018  0.034495  0.458596  1
  Ni  Ni160  1  0.120406  0.955187  0.495986  1
  Ni  Ni161  1  0.160020  0.328102  0.477598  1
  Ni  Ni162  1  0.493353  0.994768  0.477598  1
  Ni  Ni163  1  0.473560  0.808517  0.486598  1
  Ni  Ni164  1  0.806893  0.475183  0.486598  1
  Ni  Ni165  1  0.846308  0.847971  0.468325  1
  Ni  Ni166  1  0.219235  0.887602  0.449181  1
  Ni  Ni167  1  0.552568  0.554269  0.449181  1
  Ni  Ni168  1  0.885901  0.220935  0.449181  1
  Ni  Ni169  1  0.140226  0.141850  0.486598  1
  Ni  Ni170  1  0.179642  0.514638  0.468325  1
  Ni  Ni171  1  0.512975  0.181304  0.468325  1
  Ni  Ni172  1  0.286907  0.788683  0.495987  1
  Ni  Ni173  1  0.620241  0.455350  0.495987  1
  Ni  Ni174  1  0.659784  0.828334  0.477599  1
  Ni  Ni175  1  0.032812  0.867699  0.458595  1
  Ni  Ni176  1  0.366145  0.534366  0.458595  1
  Ni  Ni177  1  0.699479  0.201032  0.458595  1
  Ni  Ni178  1  0.953574  0.122017  0.495987  1
  Ni  Ni179  1  0.993118  0.495001  0.477599  1
  Ni  Ni180  1  0.326451  0.161668  0.477599  1
  Ni  Ni181  1  0.335255  0.503133  0.552490  1
  Ni  Ni182  1  0.668588  0.169799  0.552490  1
  Ni  Ni183  1  0.707897  0.542979  0.533191  1
  Ni  Ni184  1  0.080797  0.582549  0.514977  1
  Ni  Ni185  1  0.414131  0.249216  0.514977  1
  Ni  Ni186  1  0.747464  0.915883  0.514977  1
  Ni  Ni187  1  1.001922  0.836466  0.552490  1
  Ni  Ni188  1  0.041231  0.209646  0.533191  1
  Ni  Ni189  1  0.374564  0.876312  0.533191  1
  Ni  Ni190  1  0.354718  0.689573  0.542658  1
  Ni  Ni191  1  0.688052  0.356240  0.542658  1
  Ni  Ni192  1  0.727755  0.729311  0.524224  1
  Ni  Ni193  1  0.100578  0.768836  0.505537  1
  Ni  Ni194  1  0.433911  0.435503  0.505537  1
  Ni  Ni195  1  0.767245  0.102169  0.505537  1
  Ni  Ni196  1  0.021385  0.022906  0.542658  1
  Ni  Ni197  1  0.061089  0.395978  0.524224  1
  Ni  Ni198  1  0.394422  0.062644  0.524224  1
  Ni  Ni199  1  0.168302  0.670087  0.552491  1
  Ni  Ni200  1  0.501635  0.336754  0.552491  1
  Ni  Ni201  1  0.541448  0.709431  0.533189  1
  Ni  Ni202  1  0.914315  0.749033  0.514976  1
  Ni  Ni203  1  0.247649  0.415700  0.514976  1
  Ni  Ni204  1  0.580982  0.082366  0.514976  1
  Ni  Ni205  1  0.834969  1.003420  0.552491  1
  Ni  Ni206  1  0.874782  0.376098  0.533189  1
  Ni  Ni207  1  0.208115  0.042765  0.533189  1
  Ni  Ni208  1  0.216351  0.385440  0.608327  1
  Ni  Ni209  1  0.549684  0.052107  0.608327  1
  Ni  Ni210  1  0.589221  0.423745  0.589703  1
  Ni  Ni211  1  0.962713  0.463487  0.571036  1
  Ni  Ni212  1  0.296046  0.130154  0.571036  1
  Ni  Ni213  1  0.629379  0.796821  0.571036  1
  Ni  Ni214  1  0.883017  0.718773  0.608327  1
  Ni  Ni215  1  0.922554  0.090412  0.589703  1
  Ni  Ni216  1  0.255887  0.757079  0.589703  1
  Ni  Ni217  1  0.236525  0.571273  0.599569  1
  Ni  Ni218  1  0.569859  0.237940  0.599569  1
  Ni  Ni219  1  0.609809  0.611237  0.579981  1
  Ni  Ni220  1  0.982094  0.650234  0.561791  1
  Ni  Ni221  1  0.315427  0.316900  0.561791  1
  Ni  Ni222  1  0.648760  0.983567  0.561791  1
  Ni  Ni223  1  0.903192  0.904607  0.599569  1
  Ni  Ni224  1  0.943142  0.277904  0.579981  1
  Ni  Ni225  1  0.276475  0.944571  0.579981  1
  Ni  Ni226  1  0.050728  0.551067  0.608328  1
  Ni  Ni227  1  0.384061  0.217734  0.608328  1
  Ni  Ni228  1  0.422303  0.590655  0.589705  1
  Ni  Ni229  1  0.795353  0.630840  0.571037  1
  Ni  Ni230  1  0.128686  0.297507  0.571037  1
  Ni  Ni231  1  0.462019  0.964173  0.571037  1
  Ni  Ni232  1  0.717394  0.884401  0.608328  1
  Ni  Ni233  1  0.755637  0.257322  0.589705  1
  Ni  Ni234  1  0.088970  0.923988  0.589705  1
  Ni  Ni235  1  0.099814  0.265624  0.664128  1
  Ni  Ni236  1  0.433147  0.932290  0.664128  1
  Ni  Ni237  1  0.472208  0.305367  0.646477  1
  Ni  Ni238  1  0.843105  0.345840  0.625863  1
  Ni  Ni239  1  0.176438  0.012506  0.625863  1
  Ni  Ni240  1  0.509772  0.679173  0.625863  1
  Ni  Ni241  1  0.766480  0.598957  0.664128  1
  Ni  Ni242  1  0.805541  0.972034  0.646477  1
  Ni  Ni243  1  0.138875  0.638701  0.646477  1
  Ni  Ni244  1  0.120089  0.454738  0.655118  1
  Ni  Ni245  1  0.453423  0.121404  0.655118  1
  Ni  Ni246  1  0.489537  0.490906  0.636443  1
  Ni  Ni247  1  0.863585  0.531621  0.617148  1
  Ni  Ni248  1  0.196918  0.198287  0.617148  1
  Ni  Ni249  1  0.530252  0.864954  0.617148  1
  Ni  Ni250  1  0.786756  0.788071  0.655118  1
  Ni  Ni251  1  0.822870  0.157573  0.636443  1
  Ni  Ni252  1  0.156204  0.824240  0.636443  1
  Ni  Ni253  1  0.931003  0.434435  0.664132  1
  Ni  Ni254  1  0.264337  0.101102  0.664132  1
  Ni  Ni255  1  0.304032  0.473541  0.646479  1
  Ni  Ni256  1  0.677834  0.511118  0.625859  1
  Ni  Ni257  1  0.011167  0.177785  0.625859  1
  Ni  Ni258  1  0.344501  0.844452  0.625859  1
  Ni  Ni259  1  0.597670  0.767768  0.664132  1
  Ni  Ni260  1  0.637366  0.140208  0.646479  1
  Ni  Ni261  1  0.970699  0.806874  0.646479  1
  Ni  Ni262  1  0.981708  0.149961  0.714301  1
  Ni  Ni263  1  0.315042  0.816628  0.714301  1
  Ni  Ni264  1  0.353953  0.184396  0.698486  1
  Ni  Ni265  1  0.728568  0.225447  0.682379  1
  Ni  Ni266  1  0.061901  0.892113  0.682379  1
  Ni  Ni267  1  0.395234  0.558780  0.682379  1
  Ni  Ni268  1  0.648375  0.483295  0.714301  1
  Ni  Ni269  1  0.687287  0.851063  0.698486  1
  Ni  Ni270  1  0.020620  0.517730  0.698486  1
  Ni  Ni271  1  1.000217  0.334778  0.706822  1
  Ni  Ni272  1  0.333550  1.001445  0.706822  1
  Ni  Ni273  1  0.373465  0.374740  0.689582  1
  Ni  Ni274  1  0.747706  0.415601  0.672232  1
  Ni  Ni275  1  0.081039  0.082267  0.672232  1
  Ni  Ni276  1  0.414373  0.748934  0.672232  1
  Ni  Ni277  1  0.666884  0.668112  0.706822  1
  Ni  Ni278  1  0.706798  0.041407  0.689582  1
  Ni  Ni279  1  0.040131  0.708074  0.689582  1
  Ni  Ni280  1  0.815455  0.316183  0.714302  1
  Ni  Ni281  1  0.148788  0.982850  0.714302  1
  Ni  Ni282  1  0.183090  0.355232  0.698484  1
  Ni  Ni283  1  0.557450  0.396547  0.682383  1
  Ni  Ni284  1  0.890783  0.063213  0.682383  1
  Ni  Ni285  1  0.224117  0.729880  0.682383  1
  Ni  Ni286  1  0.482122  0.649516  0.714302  1
  Ni  Ni287  1  0.516423  0.021898  0.698484  1
  Ni  Ni288  1  0.849756  0.688565  0.698484  1
