# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.20968077
_cell_length_b   17.78597597
_cell_length_c   47.82371039
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.89738821
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al162 Ni162'
_cell_volume   8549.61834533
_cell_formula_units_Z   162
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  0.796853  0.618780  0.289309  1
  Al  Al2  1  0.314113  0.417635  0.340337  1
  Al  Al3  1  0.402673  0.610348  0.304357  1
  Al  Al4  1  0.799576  0.119758  0.289255  1
  Al  Al5  1  0.738238  0.276867  0.304391  1
  Al  Al6  1  0.692512  0.426183  0.321339  1
  Al  Al7  1  0.134967  0.287739  0.289274  1
  Al  Al8  1  0.072571  0.443571  0.304404  1
  Al  Al9  1  0.026544  0.592954  0.321781  1
  Al  Al10  1  0.465359  0.952855  0.289217  1
  Al  Al11  1  0.403829  0.110814  0.304126  1
  Al  Al12  1  0.361327  0.260868  0.321647  1
  Al  Al13  1  0.736584  0.776994  0.304117  1
  Al  Al14  1  0.693942  0.926555  0.321699  1
  Al  Al15  1  0.131649  0.785775  0.289271  1
  Al  Al16  1  0.070325  0.943833  0.304131  1
  Al  Al17  1  0.027836  0.093521  0.321677  1
  Al  Al18  1  0.360241  0.759716  0.321736  1
  Al  Al19  1  0.647285  0.583851  0.339618  1
  Al  Al20  1  0.170867  0.380718  0.385930  1
  Al  Al21  1  0.266958  0.571171  0.354681  1
  Al  Al22  1  0.648244  0.084381  0.339774  1
  Al  Al23  1  0.600196  0.238143  0.354589  1
  Al  Al24  1  0.551228  0.393444  0.369992  1
  Al  Al25  1  0.981595  0.251163  0.339741  1
  Al  Al26  1  0.933070  0.404706  0.354550  1
  Al  Al27  1  0.884190  0.559900  0.369977  1
  Al  Al28  1  0.314596  0.917762  0.339700  1
  Al  Al29  1  0.266663  0.071593  0.354495  1
  Al  Al30  1  0.218257  0.226612  0.370083  1
  Al  Al31  1  0.599678  0.737950  0.354529  1
  Al  Al32  1  0.551238  0.893352  0.370004  1
  Al  Al33  1  0.980750  0.750965  0.339742  1
  Al  Al34  1  0.933201  0.904659  0.354536  1
  Al  Al35  1  0.884904  0.059921  0.370049  1
  Al  Al36  1  0.217878  0.726569  0.370091  1
  Al  Al37  1  0.504066  0.547168  0.385701  1
  Al  Al38  1  0.027597  0.344815  0.433876  1
  Al  Al39  1  0.122149  0.535247  0.401830  1
  Al  Al40  1  0.504053  0.047508  0.385772  1
  Al  Al41  1  0.455746  0.201658  0.401785  1
  Al  Al42  1  0.408473  0.356075  0.417840  1
  Al  Al43  1  0.837528  0.214109  0.385846  1
  Al  Al44  1  0.788849  0.368559  0.401754  1
  Al  Al45  1  0.741563  0.522825  0.417677  1
  Al  Al46  1  0.170673  0.880729  0.385778  1
  Al  Al47  1  0.122175  0.035144  0.401699  1
  Al  Al48  1  0.074997  0.189519  0.417732  1
  Al  Al49  1  0.455530  0.701858  0.401757  1
  Al  Al50  1  0.408297  0.856210  0.417699  1
  Al  Al51  1  0.837209  0.713958  0.385763  1
  Al  Al52  1  0.788823  0.868461  0.401711  1
  Al  Al53  1  0.741709  0.022808  0.417729  1
  Al  Al54  1  0.075020  0.689454  0.417730  1
  Al  Al55  1  0.360967  0.511508  0.434031  1
  Al  Al56  1  0.884022  0.308342  0.481283  1
  Al  Al57  1  0.979544  0.499128  0.449544  1
  Al  Al58  1  0.360868  0.011372  0.433850  1
  Al  Al59  1  0.312939  0.165655  0.449552  1
  Al  Al60  1  0.265017  0.320283  0.465410  1
  Al  Al61  1  0.694231  0.178101  0.433883  1
  Al  Al62  1  0.646226  0.332423  0.449549  1
  Al  Al63  1  0.598311  0.486999  0.465374  1
  Al  Al64  1  0.027514  0.844693  0.433865  1
  Al  Al65  1  0.979585  0.999001  0.449520  1
  Al  Al66  1  0.931669  0.153607  0.465353  1
  Al  Al67  1  0.312988  0.665750  0.449567  1
  Al  Al68  1  0.265012  0.820274  0.465359  1
  Al  Al69  1  0.694116  0.678072  0.433809  1
  Al  Al70  1  0.646260  0.832399  0.449505  1
  Al  Al71  1  0.598389  0.986900  0.465359  1
  Al  Al72  1  0.931597  0.653668  0.465361  1
  Al  Al73  1  0.217386  0.475020  0.481356  1
  Al  Al74  1  0.740868  0.272036  0.529026  1
  Al  Al75  1  0.836194  0.462933  0.497187  1
  Al  Al76  1  0.217398  0.974885  0.481244  1
  Al  Al77  1  0.169596  0.129462  0.497151  1
  Al  Al78  1  0.121776  0.284089  0.513081  1
  Al  Al79  1  0.550781  0.141548  0.481311  1
  Al  Al80  1  0.502975  0.296133  0.497241  1
  Al  Al81  1  0.455169  0.450744  0.513158  1
  Al  Al82  1  0.884079  0.808258  0.481282  1
  Al  Al83  1  0.836322  0.962768  0.497194  1
  Al  Al84  1  0.788525  0.117311  0.513095  1
  Al  Al85  1  0.169596  0.629576  0.497248  1
  Al  Al86  1  0.121850  0.784040  0.513133  1
  Al  Al87  1  0.550722  0.641663  0.481282  1
  Al  Al88  1  0.502969  0.796170  0.497191  1
  Al  Al89  1  0.455238  0.950631  0.513076  1
  Al  Al90  1  0.788412  0.617464  0.513094  1
  Al  Al91  1  0.074149  0.438824  0.529032  1
  Al  Al92  1  0.597596  0.236127  0.576667  1
  Al  Al93  1  0.692914  0.426680  0.544862  1
  Al  Al94  1  0.074232  0.938626  0.529029  1
  Al  Al95  1  0.026306  0.093150  0.544778  1
  Al  Al96  1  0.978266  0.247617  0.560437  1
  Al  Al97  1  0.407585  0.105299  0.529003  1
  Al  Al98  1  0.359611  0.259932  0.544855  1
  Al  Al99  1  0.311638  0.414325  0.560541  1
  Al  Al100  1  0.740882  0.772042  0.529029  1
  Al  Al101  1  0.693065  0.926522  0.544865  1
  Al  Al102  1  0.645086  0.080827  0.560526  1
  Al  Al103  1  0.026258  0.593367  0.544888  1
  Al  Al104  1  0.978382  0.747579  0.560576  1
  Al  Al105  1  0.407546  0.605450  0.529081  1
  Al  Al106  1  0.359620  0.759973  0.544888  1
  Al  Al107  1  0.311665  0.914182  0.560482  1
  Al  Al108  1  0.644944  0.581005  0.560540  1
  Al  Al109  1  0.930733  0.403021  0.576614  1
  Al  Al110  1  0.454636  0.199075  0.624252  1
  Al  Al111  1  0.550375  0.390543  0.592677  1
  Al  Al112  1  0.930961  0.902763  0.576707  1
  Al  Al113  1  0.883751  0.057086  0.592673  1
  Al  Al114  1  0.835128  0.211609  0.608537  1
  Al  Al115  1  0.264229  0.069377  0.576511  1
  Al  Al116  1  0.216934  0.223962  0.592557  1
  Al  Al117  1  0.168401  0.378442  0.608573  1
  Al  Al118  1  0.597482  0.736205  0.576698  1
  Al  Al119  1  0.550413  0.890438  0.592676  1
  Al  Al120  1  0.502101  0.044826  0.608544  1
  Al  Al121  1  0.883564  0.557305  0.592676  1
  Al  Al122  1  0.835147  0.711576  0.608650  1
  Al  Al123  1  0.264211  0.569551  0.576717  1
  Al  Al124  1  0.217010  0.723836  0.592742  1
  Al  Al125  1  0.168464  0.878344  0.608708  1
  Al  Al126  1  0.501766  0.544965  0.608635  1
  Al  Al127  1  0.787712  0.365784  0.624351  1
  Al  Al128  1  0.313338  0.165648  0.671800  1
  Al  Al129  1  0.405940  0.354258  0.639847  1
  Al  Al130  1  0.787922  0.865600  0.624400  1
  Al  Al131  1  0.739450  0.020978  0.639899  1
  Al  Al132  1  0.690803  0.174683  0.654665  1
  Al  Al133  1  0.121056  0.032337  0.624397  1
  Al  Al134  1  0.072401  0.187604  0.639445  1
  Al  Al135  1  0.024080  0.341630  0.654522  1
  Al  Al136  1  0.454387  0.699044  0.624413  1
  Al  Al137  1  0.405762  0.854394  0.639880  1
  Al  Al138  1  0.357914  0.007774  0.654480  1
  Al  Al139  1  0.739159  0.520974  0.639878  1
  Al  Al140  1  0.691158  0.674504  0.654720  1
  Al  Al141  1  0.121238  0.532245  0.624447  1
  Al  Al142  1  0.072618  0.687577  0.639925  1
  Al  Al143  1  0.024617  0.841276  0.654785  1
  Al  Al144  1  0.357805  0.507721  0.654741  1
  Al  Al145  1  0.645392  0.332361  0.672717  1
  Al  Al146  1  0.177756  0.134756  0.719391  1
  Al  Al147  1  0.269330  0.313661  0.690722  1
  Al  Al148  1  0.645171  0.832469  0.672741  1
  Al  Al149  1  0.602693  0.981721  0.690388  1
  Al  Al150  1  0.537914  0.140334  0.705408  1
  Al  Al151  1  0.978322  0.999383  0.672838  1
  Al  Al152  1  0.934139  0.148778  0.690067  1
  Al  Al153  1  0.874264  0.305791  0.705274  1
  Al  Al154  1  0.311909  0.665718  0.672750  1
  Al  Al155  1  0.268903  0.815111  0.690355  1
  Al  Al156  1  0.207378  0.973519  0.705523  1
  Al  Al157  1  0.601902  0.481668  0.690296  1
  Al  Al158  1  0.540636  0.639433  0.705207  1
  Al  Al159  1  0.978783  0.498838  0.672777  1
  Al  Al160  1  0.935543  0.648386  0.690312  1
  Al  Al161  1  0.874132  0.806302  0.705222  1
  Al  Al162  1  0.207440  0.472355  0.705250  1
  Ni  Ni163  1  0.961538  0.705931  0.293089  1
  Ni  Ni164  1  0.623926  0.538069  0.293211  1
  Ni  Ni165  1  0.578532  0.689331  0.307555  1
  Ni  Ni166  1  0.964151  0.207075  0.292954  1
  Ni  Ni167  1  0.913915  0.356378  0.307560  1
  Ni  Ni168  1  0.856611  0.510453  0.322779  1
  Ni  Ni169  1  0.304221  0.377182  0.293169  1
  Ni  Ni170  1  0.247568  0.522365  0.307787  1
  Ni  Ni171  1  0.189413  0.677698  0.323061  1
  Ni  Ni172  1  0.629275  0.039920  0.293065  1
  Ni  Ni173  1  0.579812  0.189284  0.307625  1
  Ni  Ni174  1  0.523436  0.345632  0.322697  1
  Ni  Ni175  1  0.912313  0.856061  0.307508  1
  Ni  Ni176  1  0.857189  0.011148  0.322890  1
  Ni  Ni177  1  0.295449  0.872956  0.293050  1
  Ni  Ni178  1  0.246035  0.022923  0.307484  1
  Ni  Ni179  1  0.190920  0.178428  0.322841  1
  Ni  Ni180  1  0.523373  0.844301  0.322869  1
  Ni  Ni181  1  0.813084  0.668294  0.337705  1
  Ni  Ni182  1  0.479827  0.500892  0.337032  1
  Ni  Ni183  1  0.431602  0.654481  0.353911  1
  Ni  Ni184  1  0.814312  0.168496  0.337829  1
  Ni  Ni185  1  0.765352  0.321185  0.353891  1
  Ni  Ni186  1  0.718642  0.475079  0.369819  1
  Ni  Ni187  1  0.147552  0.335159  0.337938  1
  Ni  Ni188  1  0.097879  0.487832  0.354014  1
  Ni  Ni189  1  0.051802  0.641802  0.369913  1
  Ni  Ni190  1  0.480532  1.001996  0.337720  1
  Ni  Ni191  1  0.431827  0.154709  0.353730  1
  Ni  Ni192  1  0.385526  0.308330  0.370098  1
  Ni  Ni193  1  0.764729  0.821018  0.353776  1
  Ni  Ni194  1  0.718585  0.975285  0.369910  1
  Ni  Ni195  1  0.147001  0.835121  0.337751  1
  Ni  Ni196  1  0.098406  0.987789  0.353751  1
  Ni  Ni197  1  0.051979  0.142036  0.369906  1
  Ni  Ni198  1  0.385104  0.808627  0.369894  1
  Ni  Ni199  1  0.670523  0.630888  0.386532  1
  Ni  Ni200  1  0.337501  0.464402  0.386986  1
  Ni  Ni201  1  0.289545  0.618477  0.401981  1
  Ni  Ni202  1  0.671090  0.131023  0.386659  1
  Ni  Ni203  1  0.622618  0.285307  0.401929  1
  Ni  Ni204  1  0.574472  0.439884  0.417701  1
  Ni  Ni205  1  0.004299  0.297742  0.386654  1
  Ni  Ni206  1  0.955958  0.451960  0.401927  1
  Ni  Ni207  1  0.907789  0.606520  0.417686  1
  Ni  Ni208  1  0.337471  0.964444  0.386597  1
  Ni  Ni209  1  0.289270  0.118519  0.401936  1
  Ni  Ni210  1  0.241396  0.273112  0.417766  1
  Ni  Ni211  1  0.622556  0.785257  0.401891  1
  Ni  Ni212  1  0.574583  0.939886  0.417681  1
  Ni  Ni213  1  0.004073  0.797636  0.386636  1
  Ni  Ni214  1  0.955956  0.951833  0.401923  1
  Ni  Ni215  1  0.907958  0.106505  0.417718  1
  Ni  Ni216  1  0.241242  0.773199  0.417721  1
  Ni  Ni217  1  0.527595  0.594595  0.433525  1
  Ni  Ni218  1  0.194342  0.428001  0.433647  1
  Ni  Ni219  1  0.146086  0.582441  0.449578  1
  Ni  Ni220  1  0.527645  0.094534  0.433575  1
  Ni  Ni221  1  0.479494  0.248954  0.449566  1
  Ni  Ni222  1  0.431803  0.403522  0.465514  1
  Ni  Ni223  1  0.860929  0.261333  0.433576  1
  Ni  Ni224  1  0.812750  0.415763  0.449505  1
  Ni  Ni225  1  0.765027  0.570259  0.465397  1
  Ni  Ni226  1  0.194197  0.927909  0.433528  1
  Ni  Ni227  1  0.146081  0.082318  0.449476  1
  Ni  Ni228  1  0.098410  0.236888  0.465418  1
  Ni  Ni229  1  0.479470  0.749074  0.449501  1
  Ni  Ni230  1  0.431799  0.903498  0.465403  1
  Ni  Ni231  1  0.860859  0.761240  0.433529  1
  Ni  Ni232  1  0.812799  0.915653  0.449497  1
  Ni  Ni233  1  0.765138  0.070159  0.465426  1
  Ni  Ni234  1  0.098458  0.736854  0.465440  1
  Ni  Ni235  1  0.384158  0.558401  0.481502  1
  Ni  Ni236  1  0.050760  0.391735  0.481420  1
  Ni  Ni237  1  0.002884  0.546267  0.497211  1
  Ni  Ni238  1  0.384162  0.058244  0.481399  1
  Ni  Ni239  1  0.336283  0.212794  0.497205  1
  Ni  Ni240  1  0.288408  0.367371  0.513010  1
  Ni  Ni241  1  0.717474  0.224983  0.481421  1
  Ni  Ni242  1  0.669573  0.379538  0.497208  1
  Ni  Ni243  1  0.621690  0.534087  0.512990  1
  Ni  Ni244  1  0.050814  0.891603  0.481410  1
  Ni  Ni245  1  0.002970  0.046082  0.497160  1
  Ni  Ni246  1  0.955065  0.200660  0.512936  1
  Ni  Ni247  1  0.336310  0.712864  0.497223  1
  Ni  Ni248  1  0.288434  0.867310  0.512958  1
  Ni  Ni249  1  0.717422  0.725018  0.481385  1
  Ni  Ni250  1  0.669672  0.879455  0.497184  1
  Ni  Ni251  1  0.621822  0.033919  0.512982  1
  Ni  Ni252  1  0.955064  0.700717  0.512998  1
  Ni  Ni253  1  0.240774  0.522218  0.529013  1
  Ni  Ni254  1  0.907366  0.355557  0.528934  1
  Ni  Ni255  1  0.859666  0.510114  0.544874  1
  Ni  Ni256  1  0.240811  0.022024  0.528879  1
  Ni  Ni257  1  0.193046  0.176623  0.544813  1
  Ni  Ni258  1  0.144869  0.331171  0.560801  1
  Ni  Ni259  1  0.574150  0.188732  0.528982  1
  Ni  Ni260  1  0.526441  0.343306  0.544917  1
  Ni  Ni261  1  0.478300  0.497780  0.560876  1
  Ni  Ni262  1  0.907489  0.855408  0.528982  1
  Ni  Ni263  1  0.859814  0.009873  0.544891  1
  Ni  Ni264  1  0.811706  0.164305  0.560813  1
  Ni  Ni265  1  0.193119  0.676686  0.544943  1
  Ni  Ni266  1  0.145002  0.831035  0.560899  1
  Ni  Ni267  1  0.574078  0.688854  0.528977  1
  Ni  Ni268  1  0.526484  0.843280  0.544887  1
  Ni  Ni269  1  0.478430  0.997597  0.560799  1
  Ni  Ni270  1  0.811576  0.664465  0.560853  1
  Ni  Ni271  1  0.097890  0.485943  0.576706  1
  Ni  Ni272  1  0.764611  0.319196  0.576665  1
  Ni  Ni273  1  0.716508  0.473872  0.592473  1
  Ni  Ni274  1  0.097980  0.985736  0.576691  1
  Ni  Ni275  1  0.049937  0.140306  0.592281  1
  Ni  Ni276  1  0.001457  0.294877  0.607596  1
  Ni  Ni277  1  0.431273  0.152401  0.576648  1
  Ni  Ni278  1  0.383227  0.307184  0.592444  1
  Ni  Ni279  1  0.335080  0.461348  0.607777  1
  Ni  Ni280  1  0.764672  0.819091  0.576710  1
  Ni  Ni281  1  0.716745  0.973670  0.592489  1
  Ni  Ni282  1  0.668504  0.127913  0.607754  1
  Ni  Ni283  1  0.049957  0.640419  0.592533  1
  Ni  Ni284  1  0.001763  0.794628  0.607837  1
  Ni  Ni285  1  0.431249  0.652530  0.576731  1
  Ni  Ni286  1  0.383146  0.807146  0.592503  1
  Ni  Ni287  1  0.335005  0.961307  0.607642  1
  Ni  Ni288  1  0.668230  0.628028  0.607787  1
  Ni  Ni289  1  0.953724  0.450558  0.624455  1
  Ni  Ni290  1  0.620685  0.283735  0.624486  1
  Ni  Ni291  1  0.574126  0.437913  0.640629  1
  Ni  Ni292  1  0.953918  0.950331  0.624568  1
  Ni  Ni293  1  0.907496  0.104645  0.640615  1
  Ni  Ni294  1  0.858744  0.257132  0.656614  1
  Ni  Ni295  1  0.287218  0.116801  0.624198  1
  Ni  Ni296  1  0.240440  0.271597  0.640568  1
  Ni  Ni297  1  0.192328  0.423339  0.656784  1
  Ni  Ni298  1  0.620562  0.783674  0.624544  1
  Ni  Ni299  1  0.574470  0.937873  0.640613  1
  Ni  Ni300  1  0.525907  0.090200  0.656691  1
  Ni  Ni301  1  0.907563  0.604495  0.640667  1
  Ni  Ni302  1  0.858664  0.757073  0.656719  1
  Ni  Ni303  1  0.287284  0.616947  0.624565  1
  Ni  Ni304  1  0.240801  0.771290  0.640689  1
  Ni  Ni305  1  0.191792  0.924102  0.656896  1
  Ni  Ni306  1  0.525188  0.590363  0.656697  1
  Ni  Ni307  1  0.815450  0.414591  0.671580  1
  Ni  Ni308  1  0.482193  0.248050  0.671542  1
  Ni  Ni309  1  0.426464  0.402323  0.686919  1
  Ni  Ni310  1  0.815699  0.914618  0.671543  1
  Ni  Ni311  1  0.759465  0.069787  0.687050  1
  Ni  Ni312  1  0.709977  0.219093  0.701472  1
  Ni  Ni313  1  0.148719  0.081306  0.671240  1
  Ni  Ni314  1  0.092202  0.237169  0.685949  1
  Ni  Ni315  1  0.044350  0.385027  0.701370  1
  Ni  Ni316  1  0.482237  0.747974  0.671550  1
  Ni  Ni317  1  0.426347  0.903051  0.686927  1
  Ni  Ni318  1  0.379870  0.051577  0.700979  1
  Ni  Ni319  1  0.760086  0.569292  0.686920  1
  Ni  Ni320  1  0.710388  0.719239  0.701380  1
  Ni  Ni321  1  0.148981  0.581142  0.671608  1
  Ni  Ni322  1  0.093418  0.736115  0.686963  1
  Ni  Ni323  1  0.043875  0.886384  0.701472  1
  Ni  Ni324  1  0.376831  0.552426  0.701407  1
