# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   19.82436875
_cell_length_b   8.98477152
_cell_length_c   52.03367128
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.59908167
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al216 Ni72'
_cell_volume   9190.89182001
_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  0.836417  0.114166  0.320763  1
  Al  Al2  1  0.156934  0.018781  0.341779  1
  Al  Al3  1  0.519568  0.208305  0.295212  1
  Al  Al4  1  0.915867  0.358518  0.296399  1
  Al  Al5  1  0.226576  0.294825  0.323014  1
  Al  Al6  1  0.599520  0.475291  0.274899  1
  Al  Al7  1  0.880971  0.816738  0.331801  1
  Al  Al8  1  0.244800  0.001970  0.292885  1
  Al  Al9  1  0.560791  0.900781  0.319426  1
  Al  Al10  1  0.932393  0.650251  0.288540  1
  Al  Al11  1  0.286761  0.493532  0.296012  1
  Al  Al12  1  0.609208  0.386798  0.322229  1
  Al  Al13  1  0.068452  0.420333  0.291755  1
  Al  Al14  1  0.394801  0.316149  0.316998  1
  Al  Al15  1  0.714811  0.215969  0.342419  1
  Al  Al16  1  0.117683  0.907913  0.294727  1
  Al  Al17  1  0.441457  0.800433  0.320422  1
  Al  Al18  1  0.830708  0.939813  0.279209  1
  Al  Al19  1  0.049508  0.842265  0.336607  1
  Al  Al20  1  0.410976  0.025926  0.285316  1
  Al  Al21  1  0.729199  0.926385  0.312899  1
  Al  Al22  1  0.099794  0.327915  0.340917  1
  Al  Al23  1  0.457068  0.514623  0.288494  1
  Al  Al24  1  0.776342  0.405016  0.313463  1
  Al  Al25  1  0.963088  0.933738  0.295219  1
  Al  Al26  1  0.268523  0.776640  0.326723  1
  Al  Al27  1  0.616542  0.977259  0.276112  1
  Al  Al28  1  0.021750  0.157877  0.313056  1
  Al  Al29  1  0.331271  0.049989  0.332089  1
  Al  Al30  1  0.705346  0.195617  0.286156  1
  Al  Al31  1  0.157523  0.603733  0.319417  1
  Al  Al32  1  0.515605  0.779836  0.273593  1
  Al  Al33  1  0.803730  0.650610  0.293113  1
  Al  Al34  1  0.996328  0.558405  0.331918  1
  Al  Al35  1  0.349336  0.756926  0.283204  1
  Al  Al36  1  0.668509  0.665998  0.305269  1
  Al  Al37  1  0.794340  0.832840  0.395758  1
  Al  Al38  1  0.115795  0.741633  0.420543  1
  Al  Al39  1  0.477581  0.922658  0.369177  1
  Al  Al40  1  0.864585  0.109680  0.374039  1
  Al  Al41  1  0.182349  0.019661  0.399470  1
  Al  Al42  1  0.542679  0.196407  0.349127  1
  Al  Al43  1  0.838601  0.540774  0.418777  1
  Al  Al44  1  0.198443  0.727575  0.367805  1
  Al  Al45  1  0.517867  0.630126  0.394604  1
  Al  Al46  1  0.925457  0.306625  0.346578  1
  Al  Al47  1  0.245002  0.213123  0.371384  1
  Al  Al48  1  0.564529  0.116976  0.398266  1
  Al  Al49  1  0.032866  0.133500  0.367373  1
  Al  Al50  1  0.351004  0.039450  0.393158  1
  Al  Al51  1  0.670902  0.945879  0.419605  1
  Al  Al52  1  0.080020  0.619774  0.371269  1
  Al  Al53  1  0.396724  0.527318  0.396718  1
  Al  Al54  1  0.766140  0.700838  0.345985  1
  Al  Al55  1  1.006764  0.564686  0.413375  1
  Al  Al56  1  0.368761  0.750059  0.361913  1
  Al  Al57  1  0.690082  0.652044  0.387939  1
  Al  Al58  1  0.052660  0.050775  0.417047  1
  Al  Al59  1  0.413574  0.233503  0.365589  1
  Al  Al60  1  0.734681  0.139267  0.391650  1
  Al  Al61  1  0.905485  0.606455  0.374224  1
  Al  Al62  1  0.228069  0.506724  0.403222  1
  Al  Al63  1  0.590170  0.679551  0.352857  1
  Al  Al64  1  0.967488  0.868601  0.381949  1
  Al  Al65  1  0.286795  0.780807  0.409438  1
  Al  Al66  1  0.652843  0.954245  0.359091  1
  Al  Al67  1  0.120317  0.328744  0.396337  1
  Al  Al68  1  0.480774  0.503967  0.344774  1
  Al  Al69  1  0.803556  0.414291  0.369013  1
  Al  Al70  1  0.947872  0.288580  0.406914  1
  Al  Al71  1  0.309735  0.473152  0.355062  1
  Al  Al72  1  0.628588  0.377422  0.381351  1
  Al  Al73  1  0.753867  0.556343  0.472308  1
  Al  Al74  1  0.073704  0.465845  0.497824  1
  Al  Al75  1  0.435168  0.648262  0.446405  1
  Al  Al76  1  0.821777  0.833035  0.450965  1
  Al  Al77  1  0.140211  0.741360  0.477129  1
  Al  Al78  1  0.501668  0.922959  0.425818  1
  Al  Al79  1  0.795502  0.265348  0.497189  1
  Al  Al80  1  0.157272  0.449169  0.445723  1
  Al  Al81  1  0.476268  0.355450  0.471711  1
  Al  Al82  1  0.883845  0.028867  0.423360  1
  Al  Al83  1  0.202776  0.936735  0.449357  1
  Al  Al84  1  0.522117  0.842889  0.475517  1
  Al  Al85  1  0.989451  0.855724  0.444502  1
  Al  Al86  1  0.309749  0.763788  0.470804  1
  Al  Al87  1  0.628747  0.671255  0.496887  1
  Al  Al88  1  0.036137  0.343919  0.448470  1
  Al  Al89  1  0.355448  0.251081  0.474553  1
  Al  Al90  1  0.717156  0.433559  0.423020  1
  Al  Al91  1  0.965790  0.288396  0.490911  1
  Al  Al92  1  0.327286  0.471541  0.439510  1
  Al  Al93  1  0.646633  0.378368  0.465482  1
  Al  Al94  1  0.010680  0.775489  0.494335  1
  Al  Al95  1  0.372043  0.958477  0.443007  1
  Al  Al96  1  0.691942  0.865269  0.469123  1
  Al  Al97  1  0.865802  0.321286  0.454558  1
  Al  Al98  1  0.185281  0.228156  0.480665  1
  Al  Al99  1  0.547107  0.409901  0.429387  1
  Al  Al100  1  0.925822  0.595273  0.460717  1
  Al  Al101  1  0.245522  0.503120  0.487155  1
  Al  Al102  1  0.607228  0.684791  0.435880  1
  Al  Al103  1  0.077340  0.050762  0.473706  1
  Al  Al104  1  0.438322  0.233307  0.422346  1
  Al  Al105  1  0.759006  0.142151  0.447865  1
  Al  Al106  1  0.905676  0.013922  0.484459  1
  Al  Al107  1  0.267037  0.197210  0.433128  1
  Al  Al108  1  0.586258  0.103814  0.459086  1
  Al  Al109  1  0.711336  0.281679  0.549790  1
  Al  Al110  1  0.032021  0.190523  0.575310  1
  Al  Al111  1  0.393003  0.373068  0.523949  1
  Al  Al112  1  0.778400  0.558560  0.528532  1
  Al  Al113  1  0.098300  0.465352  0.554649  1
  Al  Al114  1  0.459663  0.648341  0.503321  1
  Al  Al115  1  0.753187  0.990271  0.574636  1
  Al  Al116  1  0.114895  0.172748  0.523102  1
  Al  Al117  1  0.434206  0.079911  0.549185  1
  Al  Al118  1  0.841596  0.752575  0.500769  1
  Al  Al119  1  0.160593  0.660042  0.526851  1
  Al  Al120  1  0.480891  0.568106  0.553153  1
  Al  Al121  1  0.948226  0.580941  0.522139  1
  Al  Al122  1  0.267566  0.487095  0.548299  1
  Al  Al123  1  0.586498  0.394963  0.574295  1
  Al  Al124  1  0.994074  0.068380  0.525945  1
  Al  Al125  1  0.313070  0.974661  0.551932  1
  Al  Al126  1  0.674840  0.158482  0.500466  1
  Al  Al127  1  0.923236  0.013929  0.568268  1
  Al  Al128  1  0.285061  0.195674  0.516991  1
  Al  Al129  1  0.604541  0.102544  0.543097  1
  Al  Al130  1  0.968674  0.500871  0.571838  1
  Al  Al131  1  0.330132  0.682470  0.520526  1
  Al  Al132  1  0.648565  0.590795  0.546690  1
  Al  Al133  1  0.823710  0.045462  0.532173  1
  Al  Al134  1  0.143057  0.952289  0.558145  1
  Al  Al135  1  0.504552  0.135434  0.506744  1
  Al  Al136  1  0.884085  0.320016  0.538569  1
  Al  Al137  1  0.203305  0.226620  0.564528  1
  Al  Al138  1  0.564667  0.409908  0.513196  1
  Al  Al139  1  0.035175  0.775568  0.551250  1
  Al  Al140  1  0.396639  0.957984  0.499831  1
  Al  Al141  1  0.716476  0.867486  0.525347  1
  Al  Al142  1  0.863115  0.739038  0.561775  1
  Al  Al143  1  0.224821  0.920710  0.510500  1
  Al  Al144  1  0.544521  0.828557  0.536938  1
  Al  Al145  1  0.666787  0.009539  0.628642  1
  Al  Al146  1  0.989569  0.919863  0.652882  1
  Al  Al147  1  0.350026  0.095086  0.601319  1
  Al  Al148  1  0.735661  0.284563  0.606005  1
  Al  Al149  1  0.056768  0.190327  0.632067  1
  Al  Al150  1  0.417683  0.373055  0.580608  1
  Al  Al151  1  0.704203  0.722992  0.651670  1
  Al  Al152  1  0.073619  0.896512  0.600937  1
  Al  Al153  1  0.390323  0.804056  0.626386  1
  Al  Al154  1  0.799441  0.477951  0.578051  1
  Al  Al155  1  0.119339  0.384380  0.604497  1
  Al  Al156  1  0.437476  0.290330  0.630282  1
  Al  Al157  1  0.905814  0.306854  0.599390  1
  Al  Al158  1  0.225341  0.210707  0.626271  1
  Al  Al159  1  0.544885  0.117205  0.651078  1
  Al  Al160  1  0.952476  0.793704  0.603052  1
  Al  Al161  1  0.271900  0.696255  0.629850  1
  Al  Al162  1  0.631742  0.883056  0.578878  1
  Al  Al163  1  0.880173  0.744279  0.644799  1
  Al  Al164  1  0.242273  0.917106  0.594434  1
  Al  Al165  1  0.564857  0.817375  0.623431  1
  Al  Al166  1  0.927663  0.227423  0.648528  1
  Al  Al167  1  0.287994  0.404168  0.598185  1
  Al  Al168  1  0.605757  0.314150  0.623616  1
  Al  Al169  1  0.780261  0.771786  0.609717  1
  Al  Al170  1  0.101581  0.673771  0.635742  1
  Al  Al171  1  0.463579  0.859143  0.584281  1
  Al  Al172  1  0.841755  0.046408  0.616304  1
  Al  Al173  1  0.160608  0.950678  0.642594  1
  Al  Al174  1  0.522471  0.135250  0.590741  1
  Al  Al175  1  0.992762  0.501172  0.628478  1
  Al  Al176  1  0.354548  0.682197  0.577113  1
  Al  Al177  1  0.676003  0.590990  0.601897  1
  Al  Al178  1  0.817500  0.469585  0.638565  1
  Al  Al179  1  0.183548  0.643023  0.588217  1
  Al  Al180  1  0.502855  0.555229  0.615706  1
  Al  Al181  1  0.666613  0.773220  0.704542  1
  Al  Al182  1  0.954737  0.643994  0.724062  1
  Al  Al183  1  0.312820  0.820097  0.678238  1
  Al  Al184  1  0.694001  0.018814  0.684193  1
  Al  Al185  1  0.013274  0.909207  0.709162  1
  Al  Al186  1  0.370549  0.095914  0.656738  1
  Al  Al187  1  0.639634  0.484017  0.718446  1
  Al  Al188  1  0.028885  0.623396  0.677233  1
  Al  Al189  1  0.352659  0.515917  0.702928  1
  Al  Al190  1  0.755531  0.207860  0.655237  1
  Al  Al191  1  0.075542  0.107681  0.680657  1
  Al  Al192  1  0.401890  0.003496  0.705901  1
  Al  Al193  1  0.861135  0.037032  0.675426  1
  Al  Al194  1  0.183582  0.930298  0.701643  1
  Al  Al195  1  0.537950  0.773579  0.709116  1
  Al  Al196  1  0.909552  0.523049  0.678229  1
  Al  Al197  1  0.225543  0.421860  0.704770  1
  Al  Al198  1  0.589371  0.607092  0.665855  1
  Al  Al199  1  0.853801  0.446571  0.721543  1
  Al  Al200  1  0.201820  0.647189  0.670932  1
  Al  Al201  1  0.507254  0.490092  0.702437  1
  Al  Al202  1  0.870823  0.948538  0.722757  1
  Al  Al203  1  0.243767  0.129005  0.674641  1
  Al  Al204  1  0.554476  0.065311  0.701257  1
  Al  Al205  1  0.741144  0.497445  0.684756  1
  Al  Al206  1  0.059367  0.397904  0.712340  1
  Al  Al207  1  0.420835  0.581565  0.661048  1
  Al  Al208  1  0.801833  0.757832  0.692386  1
  Al  Al209  1  0.121006  0.666903  0.714451  1
  Al  Al210  1  0.474015  0.865425  0.665737  1
  Al  Al211  1  0.950775  0.215524  0.702444  1
  Al  Al212  1  0.313409  0.405049  0.655876  1
  Al  Al213  1  0.633926  0.309664  0.676892  1
  Al  Al214  1  0.764997  0.228213  0.711500  1
  Al  Al215  1  0.139072  0.373840  0.665566  1
  Al  Al216  1  0.448593  0.265953  0.684599  1
  Ni  Ni217  1  0.138974  0.174614  0.300940  1
  Ni  Ni218  1  0.454076  0.068158  0.328399  1
  Ni  Ni219  1  0.825512  0.223836  0.277971  1
  Ni  Ni220  1  0.946661  0.025983  0.340419  1
  Ni  Ni221  1  0.309547  0.214474  0.289918  1
  Ni  Ni222  1  0.626834  0.109319  0.317257  1
  Ni  Ni223  1  0.871833  0.545801  0.329569  1
  Ni  Ni224  1  0.221874  0.735442  0.284587  1
  Ni  Ni225  1  0.547247  0.629250  0.310929  1
  Ni  Ni226  1  0.049644  0.696422  0.296604  1
  Ni  Ni227  1  0.373341  0.594121  0.322204  1
  Ni  Ni228  1  0.724267  0.825329  0.269498  1
  Ni  Ni229  1  0.092560  0.888980  0.379658  1
  Ni  Ni230  1  0.411340  0.794730  0.405407  1
  Ni  Ni231  1  0.778903  0.968582  0.354597  1
  Ni  Ni232  1  0.904864  0.751190  0.416620  1
  Ni  Ni233  1  0.265035  0.936664  0.365749  1
  Ni  Ni234  1  0.586074  0.838026  0.392551  1
  Ni  Ni235  1  0.823617  0.273930  0.411080  1
  Ni  Ni236  1  0.187082  0.460385  0.360010  1
  Ni  Ni237  1  0.503810  0.362313  0.386185  1
  Ni  Ni238  1  0.011040  0.411851  0.373435  1
  Ni  Ni239  1  0.329961  0.317913  0.398867  1
  Ni  Ni240  1  0.694223  0.498344  0.347406  1
  Ni  Ni241  1  0.050312  0.611749  0.456762  1
  Ni  Ni242  1  0.369860  0.519005  0.482897  1
  Ni  Ni243  1  0.731481  0.700765  0.431475  1
  Ni  Ni244  1  0.862820  0.474590  0.495161  1
  Ni  Ni245  1  0.224311  0.658659  0.443799  1
  Ni  Ni246  1  0.543377  0.564547  0.469890  1
  Ni  Ni247  1  0.781657  0.997103  0.488768  1
  Ni  Ni248  1  0.142572  0.181429  0.437268  1
  Ni  Ni249  1  0.461966  0.087458  0.463380  1
  Ni  Ni250  1  0.969041  0.134585  0.450398  1
  Ni  Ni251  1  0.288382  0.041870  0.476470  1
  Ni  Ni252  1  0.650191  0.224177  0.424924  1
  Ni  Ni253  1  0.008377  0.336372  0.534275  1
  Ni  Ni254  1  0.327770  0.242401  0.560387  1
  Ni  Ni255  1  0.688686  0.426727  0.508887  1
  Ni  Ni256  1  0.820152  0.199652  0.572731  1
  Ni  Ni257  1  0.181961  0.381960  0.521185  1
  Ni  Ni258  1  0.501302  0.289245  0.547257  1
  Ni  Ni259  1  0.738862  0.723065  0.566180  1
  Ni  Ni260  1  0.100482  0.904825  0.514758  1
  Ni  Ni261  1  0.420031  0.812081  0.540894  1
  Ni  Ni262  1  0.926966  0.859283  0.527765  1
  Ni  Ni263  1  0.246031  0.765171  0.553856  1
  Ni  Ni264  1  0.607523  0.949240  0.502494  1
  Ni  Ni265  1  0.966532  0.061517  0.611470  1
  Ni  Ni266  1  0.283261  0.963445  0.637646  1
  Ni  Ni267  1  0.646725  0.149900  0.586576  1
  Ni  Ni268  1  0.776120  0.925486  0.650249  1
  Ni  Ni269  1  0.140382  0.105917  0.598789  1
  Ni  Ni270  1  0.459302  0.011979  0.624220  1
  Ni  Ni271  1  0.691440  0.455248  0.643058  1
  Ni  Ni272  1  0.059003  0.629100  0.592249  1
  Ni  Ni273  1  0.377783  0.534849  0.617997  1
  Ni  Ni274  1  0.884268  0.585803  0.605105  1
  Ni  Ni275  1  0.205308  0.487166  0.631906  1
  Ni  Ni276  1  0.565479  0.672640  0.581035  1
  Ni  Ni277  1  0.923095  0.794580  0.686727  1
  Ni  Ni278  1  0.248469  0.688388  0.713068  1
  Ni  Ni279  1  0.598510  0.878029  0.668087  1
  Ni  Ni280  1  0.746076  0.598501  0.728158  1
  Ni  Ni281  1  0.097002  0.829709  0.675451  1
  Ni  Ni282  1  0.420698  0.727408  0.701052  1
  Ni  Ni283  1  0.644830  0.199994  0.719684  1
  Ni  Ni284  1  0.016266  0.355672  0.669257  1
  Ni  Ni285  1  0.331369  0.249216  0.696716  1
  Ni  Ni286  1  0.843509  0.314511  0.680399  1
  Ni  Ni287  1  0.160796  0.209356  0.707738  1
  Ni  Ni288  1  0.523681  0.397847  0.657236  1
