# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.24553390
_cell_length_b   17.96046795
_cell_length_c   45.82636609
_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   8301.97189663
_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  0.039659  0.719545  0.279601  1
  Al  Al2  1  0.563892  0.518544  0.328059  1
  Al  Al3  1  0.661442  0.708794  0.294924  1
  Al  Al4  1  0.040900  0.219824  0.278719  1
  Al  Al5  1  0.984825  0.377093  0.294567  1
  Al  Al6  1  0.941513  0.533466  0.310283  1
  Al  Al7  1  0.369357  0.386041  0.279327  1
  Al  Al8  1  0.323734  0.543230  0.294738  1
  Al  Al9  1  0.275764  0.698265  0.312566  1
  Al  Al10  1  0.708927  0.053016  0.278668  1
  Al  Al11  1  0.647111  0.211492  0.294200  1
  Al  Al12  1  0.611688  0.365159  0.310926  1
  Al  Al13  1  0.984711  0.879298  0.294122  1
  Al  Al14  1  0.946373  0.030513  0.311784  1
  Al  Al15  1  0.376161  0.885314  0.278913  1
  Al  Al16  1  0.315551  0.044269  0.294185  1
  Al  Al17  1  0.280165  0.196613  0.311811  1
  Al  Al18  1  0.611253  0.863270  0.312123  1
  Al  Al19  1  0.899000  0.685311  0.329208  1
  Al  Al20  1  0.422666  0.483556  0.378239  1
  Al  Al21  1  0.517605  0.675494  0.346925  1
  Al  Al22  1  0.899286  0.186476  0.331527  1
  Al  Al23  1  0.852698  0.339870  0.346292  1
  Al  Al24  1  0.803048  0.495963  0.362561  1
  Al  Al25  1  0.229467  0.353165  0.331492  1
  Al  Al26  1  0.184536  0.507514  0.346289  1
  Al  Al27  1  0.136132  0.662622  0.361919  1
  Al  Al28  1  0.567102  0.019596  0.331429  1
  Al  Al29  1  0.518112  0.174148  0.345729  1
  Al  Al30  1  0.470297  0.329209  0.362013  1
  Al  Al31  1  0.851173  0.841603  0.346273  1
  Al  Al32  1  0.804039  0.996193  0.361738  1
  Al  Al33  1  0.235136  0.852367  0.331193  1
  Al  Al34  1  0.184844  0.007283  0.345757  1
  Al  Al35  1  0.137269  0.162649  0.361902  1
  Al  Al36  1  0.470730  0.829176  0.361796  1
  Al  Al37  1  0.755416  0.650028  0.378677  1
  Al  Al38  1  0.277929  0.447852  0.429290  1
  Al  Al39  1  0.374238  0.637423  0.395320  1
  Al  Al40  1  0.754830  0.150569  0.378471  1
  Al  Al41  1  0.706453  0.304890  0.395012  1
  Al  Al42  1  0.658825  0.459172  0.411838  1
  Al  Al43  1  0.088065  0.317381  0.378574  1
  Al  Al44  1  0.040148  0.471510  0.395111  1
  Al  Al45  1  0.992524  0.625705  0.411777  1
  Al  Al46  1  0.421892  0.983332  0.378585  1
  Al  Al47  1  0.373616  0.137600  0.395195  1
  Al  Al48  1  0.325812  0.292445  0.412144  1
  Al  Al49  1  0.707528  0.804186  0.395309  1
  Al  Al50  1  0.659286  0.959118  0.412181  1
  Al  Al51  1  0.088147  0.816691  0.378606  1
  Al  Al52  1  0.040468  0.970844  0.395186  1
  Al  Al53  1  0.992655  0.125604  0.412180  1
  Al  Al54  1  0.325942  0.792454  0.412269  1
  Al  Al55  1  0.611183  0.613737  0.428767  1
  Al  Al56  1  0.133410  0.411648  0.479285  1
  Al  Al57  1  0.229845  0.602104  0.445775  1
  Al  Al58  1  0.611440  0.114445  0.429301  1
  Al  Al59  1  0.562963  0.268867  0.445723  1
  Al  Al60  1  0.514848  0.423321  0.462454  1
  Al  Al61  1  0.944630  0.281231  0.429396  1
  Al  Al62  1  0.896346  0.435521  0.445840  1
  Al  Al63  1  0.848178  0.589946  0.462476  1
  Al  Al64  1  0.278138  0.947518  0.429221  1
  Al  Al65  1  0.229636  0.102027  0.445651  1
  Al  Al66  1  0.181446  0.256787  0.462416  1
  Al  Al67  1  0.563388  0.768697  0.445911  1
  Al  Al68  1  0.515235  0.923137  0.462436  1
  Al  Al69  1  0.944625  0.780491  0.428860  1
  Al  Al70  1  0.896379  0.935348  0.445737  1
  Al  Al71  1  0.848231  0.090012  0.462395  1
  Al  Al72  1  0.181666  0.756432  0.462393  1
  Al  Al73  1  0.466989  0.577944  0.479205  1
  Al  Al74  1  0.988968  0.375554  0.529594  1
  Al  Al75  1  0.085340  0.566160  0.496045  1
  Al  Al76  1  0.466924  0.077860  0.479118  1
  Al  Al77  1  0.418601  0.232635  0.495921  1
  Al  Al78  1  0.370347  0.387327  0.512757  1
  Al  Al79  1  0.800073  0.244880  0.479261  1
  Al  Al80  1  0.751930  0.399395  0.496064  1
  Al  Al81  1  0.703785  0.553779  0.512775  1
  Al  Al82  1  0.133549  0.911046  0.479108  1
  Al  Al83  1  0.085369  0.065787  0.495800  1
  Al  Al84  1  0.037063  0.220629  0.512671  1
  Al  Al85  1  0.418983  0.732511  0.496050  1
  Al  Al86  1  0.370876  0.886946  0.512712  1
  Al  Al87  1  0.800399  0.744528  0.479262  1
  Al  Al88  1  0.752414  0.899093  0.496030  1
  Al  Al89  1  0.704204  0.053677  0.512738  1
  Al  Al90  1  0.037306  0.720397  0.512747  1
  Al  Al91  1  0.322371  0.542090  0.529584  1
  Al  Al92  1  0.844816  0.339572  0.580029  1
  Al  Al93  1  0.940948  0.530102  0.546386  1
  Al  Al94  1  0.322664  0.041605  0.529322  1
  Al  Al95  1  0.274322  0.196488  0.546080  1
  Al  Al96  1  0.225999  0.351139  0.562776  1
  Al  Al97  1  0.655988  0.208501  0.529497  1
  Al  Al98  1  0.607799  0.363229  0.546369  1
  Al  Al99  1  0.559400  0.517475  0.562791  1
  Al  Al100  1  0.989265  0.874888  0.529583  1
  Al  Al101  1  0.941254  0.029496  0.546180  1
  Al  Al102  1  0.893052  0.184076  0.562791  1
  Al  Al103  1  0.274431  0.696570  0.546335  1
  Al  Al104  1  0.226040  0.850750  0.562784  1
  Al  Al105  1  0.655892  0.708358  0.529604  1
  Al  Al106  1  0.608156  0.862943  0.546310  1
  Al  Al107  1  0.559926  0.017377  0.562798  1
  Al  Al108  1  0.892656  0.684098  0.562849  1
  Al  Al109  1  0.178053  0.506344  0.580094  1
  Al  Al110  1  0.702541  0.302524  0.630022  1
  Al  Al111  1  0.797375  0.494039  0.597151  1
  Al  Al112  1  0.178016  0.005132  0.579068  1
  Al  Al113  1  0.130482  0.160754  0.596061  1
  Al  Al114  1  0.081650  0.315790  0.613234  1
  Al  Al115  1  0.511449  0.172022  0.579106  1
  Al  Al116  1  0.463770  0.327713  0.596524  1
  Al  Al117  1  0.415039  0.482106  0.613510  1
  Al  Al118  1  0.844932  0.839139  0.579986  1
  Al  Al119  1  0.797447  0.994135  0.596845  1
  Al  Al120  1  0.749994  0.147987  0.613531  1
  Al  Al121  1  0.130587  0.660637  0.597152  1
  Al  Al122  1  0.082146  0.814992  0.613688  1
  Al  Al123  1  0.511384  0.672738  0.579986  1
  Al  Al124  1  0.463482  0.827717  0.596852  1
  Al  Al125  1  0.416059  0.981534  0.613372  1
  Al  Al126  1  0.748864  0.648245  0.613647  1
  Al  Al127  1  0.033658  0.469659  0.630290  1
  Al  Al128  1  0.556794  0.266122  0.676592  1
  Al  Al129  1  0.653924  0.457443  0.646769  1
  Al  Al130  1  0.033394  0.968953  0.630631  1
  Al  Al131  1  0.985873  0.123964  0.646364  1
  Al  Al132  1  0.938571  0.276907  0.661854  1
  Al  Al133  1  0.368592  0.135872  0.629575  1
  Al  Al134  1  0.319852  0.290765  0.646574  1
  Al  Al135  1  0.273762  0.442952  0.661724  1
  Al  Al136  1  0.699812  0.802455  0.630406  1
  Al  Al137  1  0.652729  0.957494  0.646140  1
  Al  Al138  1  0.603992  0.112801  0.661995  1
  Al  Al139  1  0.986534  0.624352  0.646630  1
  Al  Al140  1  0.936168  0.779152  0.660899  1
  Al  Al141  1  0.366099  0.636120  0.630171  1
  Al  Al142  1  0.319018  0.791382  0.646304  1
  Al  Al143  1  0.269974  0.946586  0.661446  1
  Al  Al144  1  0.603922  0.612262  0.660609  1
  Al  Al145  1  0.888679  0.434130  0.681024  1
  Al  Al146  1  0.410241  0.230883  0.729504  1
  Al  Al147  1  0.521353  0.422161  0.697184  1
  Al  Al148  1  0.892728  0.934560  0.680383  1
  Al  Al149  1  0.847449  0.088195  0.698239  1
  Al  Al150  1  0.803092  0.241723  0.714070  1
  Al  Al151  1  0.225937  0.100748  0.676110  1
  Al  Al152  1  0.182223  0.255520  0.695534  1
  Al  Al153  1  0.134599  0.408465  0.713458  1
  Al  Al154  1  0.557133  0.768213  0.680407  1
  Al  Al155  1  0.514359  0.921343  0.698042  1
  Al  Al156  1  0.468800  0.076116  0.713774  1
  Al  Al157  1  0.857415  0.587598  0.698116  1
  Al  Al158  1  0.794830  0.745939  0.713427  1
  Al  Al159  1  0.223270  0.601107  0.680676  1
  Al  Al160  1  0.189391  0.753626  0.698245  1
  Al  Al161  1  0.130505  0.913058  0.713614  1
  Al  Al162  1  0.461648  0.578990  0.713496  1
  Ni  Ni163  1  0.726168  0.602191  0.328774  1
  Ni  Ni164  1  0.393979  0.435469  0.328218  1
  Ni  Ni165  1  0.491176  0.630781  0.299471  1
  Ni  Ni166  1  0.867413  0.144623  0.284393  1
  Ni  Ni167  1  0.828206  0.286810  0.298306  1
  Ni  Ni168  1  0.780274  0.446485  0.314630  1
  Ni  Ni169  1  0.201897  0.309256  0.284342  1
  Ni  Ni170  1  0.160798  0.455803  0.298643  1
  Ni  Ni171  1  0.114025  0.611679  0.313311  1
  Ni  Ni172  1  0.535891  0.976948  0.284344  1
  Ni  Ni173  1  0.495794  0.118908  0.297863  1
  Ni  Ni174  1  0.437435  0.282438  0.313001  1
  Ni  Ni175  1  0.828492  0.794056  0.298611  1
  Ni  Ni176  1  0.772019  0.947063  0.312343  1
  Ni  Ni177  1  0.201872  0.809930  0.284060  1
  Ni  Ni178  1  0.163809  0.952859  0.297929  1
  Ni  Ni179  1  0.105254  0.114888  0.312627  1
  Ni  Ni180  1  0.443211  0.777828  0.312079  1
  Ni  Ni181  1  0.588802  0.566179  0.378109  1
  Ni  Ni182  1  0.256876  0.401069  0.379964  1
  Ni  Ni183  1  0.351798  0.590655  0.344128  1
  Ni  Ni184  1  0.731434  0.104778  0.326881  1
  Ni  Ni185  1  0.682134  0.258459  0.343499  1
  Ni  Ni186  1  0.637203  0.412053  0.360725  1
  Ni  Ni187  1  0.064810  0.270192  0.327079  1
  Ni  Ni188  1  0.013440  0.426840  0.343493  1
  Ni  Ni189  1  0.969308  0.577782  0.360782  1
  Ni  Ni190  1  0.398208  0.938266  0.327054  1
  Ni  Ni191  1  0.350352  0.089979  0.343985  1
  Ni  Ni192  1  0.304544  0.244332  0.361818  1
  Ni  Ni193  1  0.685622  0.756655  0.344282  1
  Ni  Ni194  1  0.637843  0.910904  0.362030  1
  Ni  Ni195  1  0.062127  0.772783  0.327315  1
  Ni  Ni196  1  0.017975  0.923289  0.343946  1
  Ni  Ni197  1  0.971647  0.077517  0.361907  1
  Ni  Ni198  1  0.303638  0.744380  0.362344  1
  Ni  Ni199  1  0.444789  0.530479  0.428795  1
  Ni  Ni200  1  0.111493  0.364605  0.428856  1
  Ni  Ni201  1  0.208277  0.554890  0.395695  1
  Ni  Ni202  1  0.590165  0.067724  0.379937  1
  Ni  Ni203  1  0.540493  0.221397  0.395592  1
  Ni  Ni204  1  0.491931  0.376351  0.412139  1
  Ni  Ni205  1  0.923913  0.234024  0.380190  1
  Ni  Ni206  1  0.874249  0.388183  0.395869  1
  Ni  Ni207  1  0.826068  0.542648  0.412403  1
  Ni  Ni208  1  0.256698  0.900650  0.379800  1
  Ni  Ni209  1  0.207263  0.054590  0.395507  1
  Ni  Ni210  1  0.158732  0.209586  0.412080  1
  Ni  Ni211  1  0.540930  0.722212  0.396085  1
  Ni  Ni212  1  0.492706  0.875812  0.412105  1
  Ni  Ni213  1  0.922171  0.733281  0.378612  1
  Ni  Ni214  1  0.873763  0.888610  0.395734  1
  Ni  Ni215  1  0.825600  0.042789  0.412016  1
  Ni  Ni216  1  0.159595  0.709083  0.412073  1
  Ni  Ni217  1  0.300244  0.494929  0.479440  1
  Ni  Ni218  1  0.967057  0.328388  0.479475  1
  Ni  Ni219  1  0.062709  0.518941  0.445587  1
  Ni  Ni220  1  0.444851  0.030746  0.428859  1
  Ni  Ni221  1  0.395961  0.185284  0.445592  1
  Ni  Ni222  1  0.347948  0.339994  0.462470  1
  Ni  Ni223  1  0.778115  0.197871  0.428795  1
  Ni  Ni224  1  0.729191  0.352268  0.445539  1
  Ni  Ni225  1  0.681355  0.506507  0.462313  1
  Ni  Ni226  1  0.111159  0.864005  0.428857  1
  Ni  Ni227  1  0.062856  0.018385  0.445538  1
  Ni  Ni228  1  0.014871  0.173244  0.462437  1
  Ni  Ni229  1  0.396886  0.685181  0.445668  1
  Ni  Ni230  1  0.348412  0.839745  0.462494  1
  Ni  Ni231  1  0.777902  0.697119  0.428970  1
  Ni  Ni232  1  0.730054  0.851790  0.445652  1
  Ni  Ni233  1  0.681791  0.006418  0.462489  1
  Ni  Ni234  1  0.014763  0.673092  0.462248  1
  Ni  Ni235  1  0.155714  0.459041  0.529656  1
  Ni  Ni236  1  0.822547  0.292088  0.529686  1
  Ni  Ni237  1  0.918721  0.482843  0.496102  1
  Ni  Ni238  1  0.300406  0.994509  0.479247  1
  Ni  Ni239  1  0.251936  0.149193  0.495872  1
  Ni  Ni240  1  0.203484  0.303961  0.512612  1
  Ni  Ni241  1  0.633715  0.161449  0.479395  1
  Ni  Ni242  1  0.585199  0.316060  0.496066  1
  Ni  Ni243  1  0.536839  0.470427  0.512656  1
  Ni  Ni244  1  0.967067  0.827800  0.479177  1
  Ni  Ni245  1  0.919014  0.982389  0.495955  1
  Ni  Ni246  1  0.870696  0.136995  0.512612  1
  Ni  Ni247  1  0.252344  0.649357  0.496030  1
  Ni  Ni248  1  0.203863  0.803661  0.512578  1
  Ni  Ni249  1  0.633657  0.661116  0.479208  1
  Ni  Ni250  1  0.585799  0.815869  0.496098  1
  Ni  Ni251  1  0.537449  0.970254  0.512626  1
  Ni  Ni252  1  0.870302  0.637037  0.512668  1
  Ni  Ni253  1  0.011679  0.423080  0.579832  1
  Ni  Ni254  1  0.678595  0.255375  0.579890  1
  Ni  Ni255  1  0.774678  0.446796  0.546589  1
  Ni  Ni256  1  0.155795  0.958133  0.529072  1
  Ni  Ni257  1  0.107860  0.113031  0.545917  1
  Ni  Ni258  1  0.059073  0.268123  0.562924  1
  Ni  Ni259  1  0.489043  0.124839  0.529177  1
  Ni  Ni260  1  0.440942  0.280102  0.546213  1
  Ni  Ni261  1  0.392138  0.434766  0.563088  1
  Ni  Ni262  1  0.822635  0.791752  0.529589  1
  Ni  Ni263  1  0.774956  0.946359  0.546450  1
  Ni  Ni264  1  0.726904  0.100762  0.563109  1
  Ni  Ni265  1  0.108106  0.613438  0.546562  1
  Ni  Ni266  1  0.059449  0.767345  0.563287  1
  Ni  Ni267  1  0.489169  0.625297  0.529587  1
  Ni  Ni268  1  0.441513  0.779934  0.546455  1
  Ni  Ni269  1  0.393331  0.934134  0.562974  1
  Ni  Ni270  1  0.725778  0.600801  0.563281  1
  Ni  Ni271  1  0.867605  0.386904  0.630865  1
  Ni  Ni272  1  0.533068  0.218915  0.628172  1
  Ni  Ni273  1  0.630009  0.410836  0.596751  1
  Ni  Ni274  1  0.011515  0.922223  0.580098  1
  Ni  Ni275  1  0.964921  0.076350  0.596479  1
  Ni  Ni276  1  0.916014  0.230801  0.612462  1
  Ni  Ni277  1  0.344679  0.088393  0.579549  1
  Ni  Ni278  1  0.296987  0.244035  0.596411  1
  Ni  Ni279  1  0.247729  0.397758  0.612520  1
  Ni  Ni280  1  0.678225  0.755692  0.580051  1
  Ni  Ni281  1  0.630656  0.910192  0.596460  1
  Ni  Ni282  1  0.581980  0.064807  0.612560  1
  Ni  Ni283  1  0.963286  0.577349  0.596673  1
  Ni  Ni284  1  0.913975  0.730624  0.612350  1
  Ni  Ni285  1  0.345005  0.589273  0.579854  1
  Ni  Ni286  1  0.296585  0.743994  0.596517  1
  Ni  Ni287  1  0.246996  0.898353  0.612435  1
  Ni  Ni288  1  0.580555  0.563826  0.612248  1
  Ni  Ni289  1  0.728847  0.346914  0.681406  1
  Ni  Ni290  1  0.393764  0.181615  0.680847  1
  Ni  Ni291  1  0.488305  0.375945  0.647005  1
  Ni  Ni292  1  0.865736  0.887627  0.630221  1
  Ni  Ni293  1  0.819633  0.041467  0.648238  1
  Ni  Ni294  1  0.773955  0.193568  0.665045  1
  Ni  Ni295  1  0.198401  0.052435  0.627985  1
  Ni  Ni296  1  0.152431  0.209054  0.645951  1
  Ni  Ni297  1  0.101814  0.362928  0.664264  1
  Ni  Ni298  1  0.532070  0.721189  0.630220  1
  Ni  Ni299  1  0.486341  0.875212  0.648130  1
  Ni  Ni300  1  0.441653  0.026832  0.664787  1
  Ni  Ni301  1  0.821315  0.541521  0.648568  1
  Ni  Ni302  1  0.772215  0.693588  0.665241  1
  Ni  Ni303  1  0.200416  0.553040  0.630878  1
  Ni  Ni304  1  0.153673  0.708552  0.648548  1
  Ni  Ni305  1  0.106570  0.859806  0.665451  1
  Ni  Ni306  1  0.437623  0.528653  0.664806  1
  Ni  Ni307  1  0.580574  0.305563  0.723831  1
  Ni  Ni308  1  0.245317  0.140647  0.723491  1
  Ni  Ni309  1  0.353974  0.340908  0.696589  1
  Ni  Ni310  1  0.729405  0.852033  0.679912  1
  Ni  Ni311  1  0.676553  0.007963  0.694044  1
  Ni  Ni312  1  0.625421  0.165274  0.709821  1
  Ni  Ni313  1  0.062738  0.019707  0.680651  1
  Ni  Ni314  1  0.019794  0.171627  0.695901  1
  Ni  Ni315  1  0.967805  0.322058  0.709036  1
  Ni  Ni316  1  0.398171  0.683341  0.679359  1
  Ni  Ni317  1  0.340135  0.844689  0.694155  1
  Ni  Ni318  1  0.292636  0.998784  0.708783  1
  Ni  Ni319  1  0.675352  0.514262  0.694563  1
  Ni  Ni320  1  0.636195  0.654103  0.707784  1
  Ni  Ni321  1  0.066139  0.514889  0.679748  1
  Ni  Ni322  1  0.008452  0.680049  0.694466  1
  Ni  Ni323  1  0.969842  0.821077  0.708058  1
  Ni  Ni324  1  0.302087  0.488095  0.708679  1
