# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.78538875
_cell_length_b   12.46792060
_cell_length_c   49.27803408
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.97129206
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8480.10543398
_cell_formula_units_Z   64
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  0.846857  0.031738  0.382848  1
  Al  Al2  1  0.346857  0.031738  0.382848  1
  Al  Al3  1  0.939356  0.260876  0.325444  1
  Al  Al4  1  0.439356  0.260876  0.325444  1
  Al  Al5  1  0.027844  0.510186  0.334770  1
  Al  Al6  1  0.527844  0.510186  0.334770  1
  Al  Al7  1  0.919235  0.230560  0.383625  1
  Al  Al8  1  0.419235  0.230560  0.383625  1
  Al  Al9  1  0.118396  0.247264  0.278783  1
  Al  Al10  1  0.618396  0.247264  0.278783  1
  Al  Al11  1  0.996208  0.028820  0.343922  1
  Al  Al12  1  0.496208  0.028820  0.343922  1
  Al  Al13  1  0.117837  0.626744  0.312730  1
  Al  Al14  1  0.617837  0.626744  0.312730  1
  Al  Al15  1  0.008611  0.365934  0.373416  1
  Al  Al16  1  0.508611  0.365934  0.373416  1
  Al  Al17  1  0.233417  0.413483  0.342755  1
  Al  Al18  1  0.733417  0.413483  0.342755  1
  Al  Al19  1  0.365524  0.638836  0.294201  1
  Al  Al20  1  0.865524  0.638836  0.294201  1
  Al  Al21  1  0.250059  0.751674  0.381267  1
  Al  Al22  1  0.750059  0.751674  0.381267  1
  Al  Al23  1  0.339433  0.005996  0.323168  1
  Al  Al24  1  0.839433  0.005996  0.323168  1
  Al  Al25  1  0.300418  0.221467  0.297188  1
  Al  Al26  1  0.800418  0.221467  0.297188  1
  Al  Al27  1  0.227060  0.953378  0.355256  1
  Al  Al28  1  0.727060  0.953378  0.355256  1
  Al  Al29  1  0.341706  0.528507  0.337978  1
  Al  Al30  1  0.841706  0.528507  0.337978  1
  Al  Al31  1  0.437892  0.805069  0.282477  1
  Al  Al32  1  0.937892  0.805069  0.282477  1
  Al  Al33  1  0.033619  0.818251  0.367878  1
  Al  Al34  1  0.533619  0.818251  0.367878  1
  Al  Al35  1  0.124450  0.059655  0.309902  1
  Al  Al36  1  0.624450  0.059655  0.309902  1
  Al  Al37  1  0.303217  0.443471  0.290454  1
  Al  Al38  1  0.803217  0.443471  0.290454  1
  Al  Al39  1  0.151684  0.250825  0.333986  1
  Al  Al40  1  0.651684  0.250825  0.333986  1
  Al  Al41  1  0.477934  0.018650  0.287883  1
  Al  Al42  1  0.977934  0.018650  0.287883  1
  Al  Al43  1  0.411189  0.751513  0.339234  1
  Al  Al44  1  0.911189  0.751513  0.339234  1
  Al  Al45  1  0.083962  0.545490  0.384486  1
  Al  Al46  1  0.583962  0.545490  0.384486  1
  Al  Al47  1  0.187147  0.783590  0.327550  1
  Al  Al48  1  0.687147  0.783590  0.327550  1
  Al  Al49  1  0.650397  0.537589  0.494902  1
  Al  Al50  1  0.150397  0.537589  0.494902  1
  Al  Al51  1  0.748273  0.787269  0.439264  1
  Al  Al52  1  0.248273  0.787269  0.439264  1
  Al  Al53  1  0.826580  0.983977  0.441301  1
  Al  Al54  1  0.326580  0.983977  0.441301  1
  Al  Al55  1  0.729490  0.736262  0.497316  1
  Al  Al56  1  0.229490  0.736262  0.497316  1
  Al  Al57  1  0.905623  0.777567  0.396319  1
  Al  Al58  1  0.405623  0.777567  0.396319  1
  Al  Al59  1  0.810393  0.524978  0.450750  1
  Al  Al60  1  0.310393  0.524978  0.450750  1
  Al  Al61  1  0.916250  0.115838  0.430866  1
  Al  Al62  1  0.416250  0.115838  0.430866  1
  Al  Al63  1  0.819029  0.867579  0.486635  1
  Al  Al64  1  0.319029  0.867579  0.486635  1
  Al  Al65  1  0.050290  0.914130  0.457591  1
  Al  Al66  1  0.550290  0.914130  0.457591  1
  Al  Al67  1  0.145187  0.164043  0.400672  1
  Al  Al68  1  0.645187  0.164043  0.400672  1
  Al  Al69  1  0.057630  0.254985  0.492857  1
  Al  Al70  1  0.557630  0.254985  0.492857  1
  Al  Al71  1  0.154943  0.500933  0.437493  1
  Al  Al72  1  0.654943  0.500933  0.437493  1
  Al  Al73  1  0.133358  0.701862  0.411436  1
  Al  Al74  1  0.633358  0.701862  0.411436  1
  Al  Al75  1  0.032687  0.455867  0.466656  1
  Al  Al76  1  0.532687  0.455867  0.466656  1
  Al  Al77  1  0.137535  0.048244  0.446294  1
  Al  Al78  1  0.637535  0.048244  0.446294  1
  Al  Al79  1  0.231409  0.297823  0.389764  1
  Al  Al80  1  0.731409  0.297823  0.389764  1
  Al  Al81  1  0.834440  0.323588  0.476856  1
  Al  Al82  1  0.334440  0.323588  0.476856  1
  Al  Al83  1  0.931137  0.573058  0.422083  1
  Al  Al84  1  0.431137  0.573058  0.422083  1
  Al  Al85  1  0.074950  0.986920  0.395293  1
  Al  Al86  1  0.574950  0.986920  0.395293  1
  Al  Al87  1  0.978880  0.735695  0.450758  1
  Al  Al88  1  0.478880  0.735695  0.450758  1
  Al  Al89  1  0.312678  0.489972  0.392494  1
  Al  Al90  1  0.812678  0.489972  0.392494  1
  Al  Al91  1  0.216030  0.242819  0.448418  1
  Al  Al92  1  0.716030  0.242819  0.448418  1
  Al  Al93  1  0.889813  0.045627  0.493491  1
  Al  Al94  1  0.389813  0.045627  0.493491  1
  Al  Al95  1  0.985704  0.293137  0.437386  1
  Al  Al96  1  0.485704  0.293137  0.437386  1
  Al  Al97  1  0.457961  0.043221  0.607063  1
  Al  Al98  1  0.957961  0.043221  0.607063  1
  Al  Al99  1  0.554609  0.290374  0.551139  1
  Al  Al100  1  0.054609  0.290374  0.551139  1
  Al  Al101  1  0.633104  0.484949  0.553263  1
  Al  Al102  1  0.133104  0.484949  0.553263  1
  Al  Al103  1  0.539230  0.235370  0.609793  1
  Al  Al104  1  0.039230  0.235370  0.609793  1
  Al  Al105  1  0.713009  0.278208  0.506700  1
  Al  Al106  1  0.213009  0.278208  0.506700  1
  Al  Al107  1  0.615696  0.032260  0.562064  1
  Al  Al108  1  0.115696  0.032260  0.562064  1
  Al  Al109  1  0.720349  0.619063  0.541966  1
  Al  Al110  1  0.220349  0.619063  0.541966  1
  Al  Al111  1  0.625452  0.369150  0.598885  1
  Al  Al112  1  0.125452  0.369150  0.598885  1
  Al  Al113  1  0.854389  0.417355  0.568691  1
  Al  Al114  1  0.354389  0.417355  0.568691  1
  Al  Al115  1  0.951610  0.665614  0.512922  1
  Al  Al116  1  0.451610  0.665614  0.512922  1
  Al  Al117  1  0.865016  0.755626  0.603238  1
  Al  Al118  1  0.365016  0.755626  0.603238  1
  Al  Al119  1  0.960246  0.008215  0.548807  1
  Al  Al120  1  0.460246  0.008215  0.548807  1
  Al  Al121  1  0.936199  0.209605  0.522701  1
  Al  Al122  1  0.436199  0.209605  0.522701  1
  Al  Al123  1  0.839502  0.960135  0.577474  1
  Al  Al124  1  0.339502  0.960135  0.577474  1
  Al  Al125  1  0.944059  0.549216  0.558256  1
  Al  Al126  1  0.444059  0.549216  0.558256  1
  Al  Al127  1  0.041149  0.796931  0.502241  1
  Al  Al128  1  0.541149  0.796931  0.502241  1
  Al  Al129  1  0.637281  0.831331  0.588121  1
  Al  Al130  1  0.137281  0.831331  0.588121  1
  Al  Al131  1  0.737952  0.077326  0.532901  1
  Al  Al132  1  0.237952  0.077326  0.532901  1
  Al  Al133  1  0.880826  0.487566  0.506066  1
  Al  Al134  1  0.380826  0.487566  0.506066  1
  Al  Al135  1  0.784935  0.240056  0.562171  1
  Al  Al136  1  0.284935  0.240056  0.562171  1
  Al  Al137  1  0.120242  0.995604  0.504655  1
  Al  Al138  1  0.620242  0.995604  0.504655  1
  Al  Al139  1  0.022366  0.745923  0.560293  1
  Al  Al140  1  0.522366  0.745923  0.560293  1
  Al  Al141  1  0.695689  0.546273  0.604264  1
  Al  Al142  1  0.195689  0.546273  0.604264  1
  Al  Al143  1  0.791759  0.797498  0.548799  1
  Al  Al144  1  0.291759  0.797498  0.548799  1
  Al  Al145  1  0.292705  0.514543  0.711674  1
  Al  Al146  1  0.792705  0.514543  0.711674  1
  Al  Al147  1  0.359450  0.781680  0.660323  1
  Al  Al148  1  0.859450  0.781680  0.660323  1
  Al  Al149  1  0.428933  0.004686  0.661579  1
  Al  Al150  1  0.928933  0.004686  0.661579  1
  Al  Al151  1  0.332747  0.728124  0.717080  1
  Al  Al152  1  0.832747  0.728124  0.717080  1
  Al  Al153  1  0.520580  0.781518  0.618290  1
  Al  Al154  1  0.020580  0.781518  0.618290  1
  Al  Al155  1  0.431206  0.527197  0.676389  1
  Al  Al156  1  0.931206  0.527197  0.676389  1
  Al  Al157  1  0.537222  0.119709  0.656802  1
  Al  Al158  1  0.037222  0.119709  0.656802  1
  Al  Al159  1  0.405115  0.894356  0.705356  1
  Al  Al160  1  0.905115  0.894356  0.705356  1
  Al  Al161  1  0.652802  0.906448  0.686827  1
  Al  Al162  1  0.152802  0.906448  0.686827  1
  Al  Al163  1  0.762028  0.167259  0.626141  1
  Al  Al164  1  0.262028  0.167259  0.626141  1
  Al  Al165  1  0.652243  0.285928  0.720775  1
  Al  Al166  1  0.152243  0.285928  0.720775  1
  Al  Al167  1  0.774431  0.504373  0.655635  1
  Al  Al168  1  0.274431  0.504373  0.655635  1
  Al  Al169  1  0.737020  0.714942  0.631679  1
  Al  Al170  1  0.237020  0.714942  0.631679  1
  Al  Al171  1  0.646189  0.473538  0.689655  1
  Al  Al172  1  0.146189  0.473538  0.689655  1
  Al  Al173  1  0.742795  0.023007  0.664787  1
  Al  Al174  1  0.242795  0.023007  0.664787  1
  Al  Al175  1  0.851404  0.302633  0.615932  1
  Al  Al176  1  0.351404  0.302633  0.615932  1
  Al  Al177  1  0.470221  0.311725  0.702369  1
  Al  Al178  1  0.970221  0.311725  0.702369  1
  Al  Al179  1  0.543579  0.579815  0.644301  1
  Al  Al180  1  0.043579  0.579815  0.644301  1
  Al  Al181  1  0.686677  0.987703  0.615071  1
  Al  Al182  1  0.186677  0.987703  0.615071  1
  Al  Al183  1  0.583492  0.749603  0.672007  1
  Al  Al184  1  0.083492  0.749603  0.672007  1
  Al  Al185  1  0.923783  0.501455  0.616709  1
  Al  Al186  1  0.423783  0.501455  0.616709  1
  Al  Al187  1  0.831283  0.272317  0.674113  1
  Al  Al188  1  0.331283  0.272317  0.674113  1
  Al  Al189  1  0.467422  0.089722  0.709103  1
  Al  Al190  1  0.967422  0.089722  0.709103  1
  Al  Al191  1  0.618955  0.282368  0.665571  1
  Al  Al192  1  0.118955  0.282368  0.665571  1
  Ni  Ni193  1  0.323378  0.189632  0.347857  1
  Ni  Ni194  1  0.823378  0.189632  0.347857  1
  Ni  Ni195  1  0.477061  0.408745  0.302627  1
  Ni  Ni196  1  0.977061  0.408745  0.302627  1
  Ni  Ni197  1  0.144897  0.416149  0.298679  1
  Ni  Ni198  1  0.644897  0.416149  0.298679  1
  Ni  Ni199  1  0.074227  0.146020  0.358246  1
  Ni  Ni200  1  0.574227  0.146020  0.358246  1
  Ni  Ni201  1  0.014905  0.846955  0.320026  1
  Ni  Ni202  1  0.514905  0.846955  0.320026  1
  Ni  Ni203  1  0.916100  0.592612  0.373193  1
  Ni  Ni204  1  0.416100  0.592612  0.373193  1
  Ni  Ni205  1  0.181245  0.626046  0.360664  1
  Ni  Ni206  1  0.681245  0.626046  0.360664  1
  Ni  Ni207  1  0.279586  0.868862  0.305792  1
  Ni  Ni208  1  0.779586  0.868862  0.305792  1
  Ni  Ni209  1  0.146536  0.689747  0.460963  1
  Ni  Ni210  1  0.646536  0.689747  0.460963  1
  Ni  Ni211  1  0.241514  0.940394  0.404990  1
  Ni  Ni212  1  0.741514  0.940394  0.404990  1
  Ni  Ni213  1  0.978096  0.895581  0.415307  1
  Ni  Ni214  1  0.478096  0.895581  0.415307  1
  Ni  Ni215  1  0.878687  0.647879  0.470366  1
  Ni  Ni216  1  0.378687  0.647879  0.470366  1
  Ni  Ni217  1  0.819009  0.337675  0.426483  1
  Ni  Ni218  1  0.319009  0.337675  0.426483  1
  Ni  Ni219  1  0.722361  0.091097  0.482941  1
  Ni  Ni220  1  0.222361  0.091097  0.482941  1
  Ni  Ni221  1  0.988920  0.133292  0.473749  1
  Ni  Ni222  1  0.488920  0.133292  0.473749  1
  Ni  Ni223  1  0.083483  0.381392  0.417298  1
  Ni  Ni224  1  0.583483  0.381392  0.417298  1
  Ni  Ni225  1  0.951630  0.195518  0.573074  1
  Ni  Ni226  1  0.451630  0.195518  0.573074  1
  Ni  Ni227  1  0.048278  0.442096  0.516616  1
  Ni  Ni228  1  0.548278  0.442096  0.516616  1
  Ni  Ni229  1  0.781719  0.399900  0.525808  1
  Ni  Ni230  1  0.281719  0.399900  0.525808  1
  Ni  Ni231  1  0.687157  0.151801  0.582259  1
  Ni  Ni232  1  0.187157  0.151801  0.582259  1
  Ni  Ni233  1  0.624103  0.843446  0.538594  1
  Ni  Ni234  1  0.124103  0.843446  0.538594  1
  Ni  Ni235  1  0.529125  0.592799  0.594567  1
  Ni  Ni236  1  0.029125  0.592799  0.594567  1
  Ni  Ni237  1  0.792543  0.637612  0.584250  1
  Ni  Ni238  1  0.292543  0.637612  0.584250  1
  Ni  Ni239  1  0.891952  0.885314  0.529191  1
  Ni  Ni240  1  0.391952  0.885314  0.529191  1
  Ni  Ni241  1  0.755734  0.686237  0.679531  1
  Ni  Ni242  1  0.255734  0.686237  0.679531  1
  Ni  Ni243  1  0.854539  0.940581  0.626364  1
  Ni  Ni244  1  0.354539  0.940581  0.626364  1
  Ni  Ni245  1  0.589394  0.907147  0.638893  1
  Ni  Ni246  1  0.089394  0.907147  0.638893  1
  Ni  Ni247  1  0.491053  0.664331  0.693765  1
  Ni  Ni248  1  0.991053  0.664331  0.693765  1
  Ni  Ni249  1  0.447261  0.343561  0.651700  1
  Ni  Ni250  1  0.947261  0.343561  0.651700  1
  Ni  Ni251  1  0.293578  0.124448  0.696930  1
  Ni  Ni252  1  0.793578  0.124448  0.696930  1
  Ni  Ni253  1  0.625742  0.117044  0.700878  1
  Ni  Ni254  1  0.125742  0.117044  0.700878  1
  Ni  Ni255  1  0.696412  0.387173  0.641311  1
  Ni  Ni256  1  0.196412  0.387173  0.641311  1
