# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.38854553
_cell_length_b   17.82069406
_cell_length_c   46.48777486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.91277987
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al84 Cu252'
_cell_volume   9698.96866547
_cell_formula_units_Z   84
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  0.665222  0.500452  0.305990  1
  Al  Al2  1  0.165222  0.500452  0.305990  1
  Al  Al3  1  0.726977  0.854838  0.286831  1
  Al  Al4  1  0.599552  0.143059  0.327946  1
  Al  Al5  1  0.226977  0.854838  0.286831  1
  Al  Al6  1  0.099552  0.143059  0.327946  1
  Al  Al7  1  0.727812  0.299980  0.339755  1
  Al  Al8  1  0.227812  0.299980  0.339755  1
  Al  Al9  1  0.790691  0.655247  0.316130  1
  Al  Al10  1  0.858270  0.013830  0.295828  1
  Al  Al11  1  0.290691  0.655247  0.316130  1
  Al  Al12  1  0.358270  0.013830  0.295828  1
  Al  Al13  1  0.461779  0.431972  0.370126  1
  Al  Al14  1  0.961779  0.431972  0.370126  1
  Al  Al15  1  0.526433  0.788315  0.349645  1
  Al  Al16  1  0.393745  0.076095  0.391308  1
  Al  Al17  1  0.026433  0.788315  0.349645  1
  Al  Al18  1  0.893745  0.076095  0.391308  1
  Al  Al19  1  0.524004  0.232423  0.401493  1
  Al  Al20  1  0.024004  0.232423  0.401493  1
  Al  Al21  1  0.590837  0.588488  0.380650  1
  Al  Al22  1  0.657739  0.944625  0.359764  1
  Al  Al23  1  0.090837  0.588488  0.380650  1
  Al  Al24  1  0.157739  0.944625  0.359764  1
  Al  Al25  1  0.258255  0.364491  0.433110  1
  Al  Al26  1  0.758255  0.364491  0.433110  1
  Al  Al27  1  0.325635  0.719953  0.411977  1
  Al  Al28  1  0.190540  0.008369  0.453902  1
  Al  Al29  1  0.825635  0.719953  0.411977  1
  Al  Al30  1  0.690540  0.008369  0.453902  1
  Al  Al31  1  0.320781  0.164935  0.463873  1
  Al  Al32  1  0.820781  0.164935  0.463873  1
  Al  Al33  1  0.388117  0.520780  0.443010  1
  Al  Al34  1  0.455600  0.876531  0.422122  1
  Al  Al35  1  0.888117  0.520780  0.443010  1
  Al  Al36  1  0.955600  0.876531  0.422122  1
  Al  Al37  1  0.055079  0.296787  0.495679  1
  Al  Al38  1  0.555079  0.296787  0.495679  1
  Al  Al39  1  0.122767  0.652528  0.474778  1
  Al  Al40  1  0.987426  0.940794  0.516450  1
  Al  Al41  1  0.622767  0.652528  0.474778  1
  Al  Al42  1  0.487426  0.940794  0.516450  1
  Al  Al43  1  0.117633  0.097307  0.526509  1
  Al  Al44  1  0.617633  0.097307  0.526509  1
  Al  Al45  1  0.185164  0.453199  0.505689  1
  Al  Al46  1  0.252874  0.808946  0.484790  1
  Al  Al47  1  0.685164  0.453199  0.505689  1
  Al  Al48  1  0.752874  0.808946  0.484790  1
  Al  Al49  1  0.852051  0.229249  0.558241  1
  Al  Al50  1  0.352051  0.229249  0.558241  1
  Al  Al51  1  0.919764  0.584905  0.537481  1
  Al  Al52  1  0.784573  0.873281  0.579087  1
  Al  Al53  1  0.419764  0.584905  0.537481  1
  Al  Al54  1  0.284573  0.873281  0.579087  1
  Al  Al55  1  0.914342  0.029898  0.589254  1
  Al  Al56  1  0.414342  0.029898  0.589254  1
  Al  Al57  1  0.982068  0.385520  0.568403  1
  Al  Al58  1  0.049884  0.741302  0.547427  1
  Al  Al59  1  0.482068  0.385520  0.568403  1
  Al  Al60  1  0.549884  0.741302  0.547427  1
  Al  Al61  1  0.649225  0.161052  0.620579  1
  Al  Al62  1  0.149225  0.161052  0.620579  1
  Al  Al63  1  0.716691  0.517282  0.600019  1
  Al  Al64  1  0.582264  0.805731  0.641668  1
  Al  Al65  1  0.216691  0.517282  0.600019  1
  Al  Al66  1  0.082264  0.805731  0.641668  1
  Al  Al67  1  0.712276  0.962272  0.651070  1
  Al  Al68  1  0.212276  0.962272  0.651070  1
  Al  Al69  1  0.779076  0.317798  0.631140  1
  Al  Al70  1  0.847129  0.673533  0.610032  1
  Al  Al71  1  0.279076  0.317798  0.631140  1
  Al  Al72  1  0.347129  0.673533  0.610032  1
  Al  Al73  1  0.450406  0.092630  0.685374  1
  Al  Al74  1  0.950406  0.092630  0.685374  1
  Al  Al75  1  0.513008  0.448124  0.663177  1
  Al  Al76  1  0.381221  0.738503  0.704621  1
  Al  Al77  1  0.013008  0.448124  0.663177  1
  Al  Al78  1  0.881221  0.738503  0.704621  1
  Al  Al79  1  0.508881  0.895268  0.713154  1
  Al  Al80  1  0.008881  0.895268  0.713154  1
  Al  Al81  1  0.574998  0.251740  0.694810  1
  Al  Al82  1  0.642189  0.607149  0.673184  1
  Al  Al83  1  0.074998  0.251740  0.694810  1
  Al  Al84  1  0.142189  0.607149  0.673184  1
  Cu  Cu85  1  0.733785  0.352888  0.288640  1
  Cu  Cu86  1  0.233785  0.352888  0.288640  1
  Cu  Cu87  1  0.592118  0.644030  0.328664  1
  Cu  Cu88  1  0.658998  0.998604  0.307021  1
  Cu  Cu89  1  0.092118  0.644030  0.328664  1
  Cu  Cu90  1  0.158998  0.998604  0.307021  1
  Cu  Cu91  1  0.873224  0.507807  0.298529  1
  Cu  Cu92  1  0.373224  0.507807  0.298529  1
  Cu  Cu93  1  0.932345  0.865786  0.279294  1
  Cu  Cu94  1  0.798961  0.157411  0.318209  1
  Cu  Cu95  1  0.432345  0.865786  0.279294  1
  Cu  Cu96  1  0.298961  0.157411  0.318209  1
  Cu  Cu97  1  0.981377  0.608791  0.288661  1
  Cu  Cu98  1  0.481377  0.608791  0.288661  1
  Cu  Cu99  1  0.843065  0.894847  0.328723  1
  Cu  Cu100  1  0.914527  0.251283  0.307789  1
  Cu  Cu101  1  0.343065  0.894847  0.328723  1
  Cu  Cu102  1  0.414527  0.251283  0.307789  1
  Cu  Cu103  1  0.848726  0.393495  0.328203  1
  Cu  Cu104  1  0.348726  0.393495  0.328203  1
  Cu  Cu105  1  0.910643  0.750437  0.308095  1
  Cu  Cu106  1  0.980143  0.107418  0.288597  1
  Cu  Cu107  1  0.410643  0.750437  0.308095  1
  Cu  Cu108  1  0.480143  0.107418  0.288597  1
  Cu  Cu109  1  0.477432  0.550162  0.338863  1
  Cu  Cu110  1  0.977432  0.550162  0.338863  1
  Cu  Cu111  1  0.541851  0.907424  0.318217  1
  Cu  Cu112  1  0.612094  0.263511  0.298082  1
  Cu  Cu113  1  0.041851  0.907424  0.318217  1
  Cu  Cu114  1  0.112094  0.263511  0.298082  1
  Cu  Cu115  1  0.546604  0.405167  0.317776  1
  Cu  Cu116  1  0.046604  0.405167  0.317776  1
  Cu  Cu117  1  0.607690  0.761639  0.297640  1
  Cu  Cu118  1  0.475270  0.050651  0.338778  1
  Cu  Cu119  1  0.107690  0.761639  0.297640  1
  Cu  Cu120  1  0.975270  0.050651  0.338778  1
  Cu  Cu121  1  0.525535  0.287935  0.349194  1
  Cu  Cu122  1  0.025535  0.287935  0.349194  1
  Cu  Cu123  1  0.388638  0.576808  0.390419  1
  Cu  Cu124  1  0.456158  0.932782  0.369783  1
  Cu  Cu125  1  0.888638  0.576808  0.390419  1
  Cu  Cu126  1  0.956158  0.932782  0.369783  1
  Cu  Cu127  1  0.663973  0.444347  0.359538  1
  Cu  Cu128  1  0.163973  0.444347  0.359538  1
  Cu  Cu129  1  0.728510  0.799654  0.339242  1
  Cu  Cu130  1  0.595831  0.087885  0.380989  1
  Cu  Cu131  1  0.228510  0.799654  0.339242  1
  Cu  Cu132  1  0.095831  0.087885  0.380989  1
  Cu  Cu133  1  0.778374  0.537994  0.349145  1
  Cu  Cu134  1  0.278374  0.537994  0.349145  1
  Cu  Cu135  1  0.642465  0.826232  0.391193  1
  Cu  Cu136  1  0.711428  0.181634  0.370344  1
  Cu  Cu137  1  0.142465  0.826232  0.391193  1
  Cu  Cu138  1  0.211428  0.181634  0.370344  1
  Cu  Cu139  1  0.643273  0.326668  0.391468  1
  Cu  Cu140  1  0.143273  0.326668  0.391468  1
  Cu  Cu141  1  0.710948  0.681818  0.369901  1
  Cu  Cu142  1  0.779655  0.037683  0.349132  1
  Cu  Cu143  1  0.210948  0.681818  0.369901  1
  Cu  Cu144  1  0.279655  0.037683  0.349132  1
  Cu  Cu145  1  0.273988  0.482140  0.401148  1
  Cu  Cu146  1  0.773988  0.482140  0.401148  1
  Cu  Cu147  1  0.340543  0.837898  0.380407  1
  Cu  Cu148  1  0.411363  0.193339  0.359405  1
  Cu  Cu149  1  0.840543  0.837898  0.380407  1
  Cu  Cu150  1  0.911363  0.193339  0.359405  1
  Cu  Cu151  1  0.341873  0.339027  0.380601  1
  Cu  Cu152  1  0.841873  0.339027  0.380601  1
  Cu  Cu153  1  0.406727  0.693767  0.359108  1
  Cu  Cu154  1  0.273532  0.982691  0.401336  1
  Cu  Cu155  1  0.906727  0.693767  0.359108  1
  Cu  Cu156  1  0.773532  0.982691  0.401336  1
  Cu  Cu157  1  0.321537  0.221277  0.411203  1
  Cu  Cu158  1  0.821537  0.221277  0.411203  1
  Cu  Cu159  1  0.186049  0.509388  0.453030  1
  Cu  Cu160  1  0.253650  0.865046  0.432167  1
  Cu  Cu161  1  0.686049  0.509388  0.453030  1
  Cu  Cu162  1  0.753650  0.865046  0.432167  1
  Cu  Cu163  1  0.460160  0.376020  0.422955  1
  Cu  Cu164  1  0.960160  0.376020  0.422955  1
  Cu  Cu165  1  0.527412  0.731601  0.401968  1
  Cu  Cu166  1  0.392568  0.019880  0.443864  1
  Cu  Cu167  1  0.027412  0.731601  0.401968  1
  Cu  Cu168  1  0.892568  0.019880  0.443864  1
  Cu  Cu169  1  0.575503  0.470580  0.411968  1
  Cu  Cu170  1  0.075503  0.470580  0.411968  1
  Cu  Cu171  1  0.439885  0.758668  0.453812  1
  Cu  Cu172  1  0.507859  0.114663  0.432958  1
  Cu  Cu173  1  0.939885  0.758668  0.453812  1
  Cu  Cu174  1  0.007859  0.114663  0.432958  1
  Cu  Cu175  1  0.440383  0.258569  0.453861  1
  Cu  Cu176  1  0.940383  0.258569  0.453861  1
  Cu  Cu177  1  0.507775  0.614344  0.433025  1
  Cu  Cu178  1  0.575637  0.970209  0.412156  1
  Cu  Cu179  1  0.007775  0.614344  0.433025  1
  Cu  Cu180  1  0.075637  0.970209  0.412156  1
  Cu  Cu181  1  0.070947  0.414680  0.463929  1
  Cu  Cu182  1  0.570947  0.414680  0.463929  1
  Cu  Cu183  1  0.138575  0.770338  0.443032  1
  Cu  Cu184  1  0.206541  0.126272  0.422221  1
  Cu  Cu185  1  0.638575  0.770338  0.443032  1
  Cu  Cu186  1  0.706541  0.126272  0.422221  1
  Cu  Cu187  1  0.138493  0.270827  0.443180  1
  Cu  Cu188  1  0.638493  0.270827  0.443180  1
  Cu  Cu189  1  0.205788  0.626802  0.422178  1
  Cu  Cu190  1  0.070730  0.914783  0.463981  1
  Cu  Cu191  1  0.705788  0.626802  0.422178  1
  Cu  Cu192  1  0.570730  0.914783  0.463981  1
  Cu  Cu193  1  0.118534  0.153470  0.473945  1
  Cu  Cu194  1  0.618534  0.153470  0.473945  1
  Cu  Cu195  1  0.983174  0.441694  0.515773  1
  Cu  Cu196  1  0.050788  0.797446  0.494824  1
  Cu  Cu197  1  0.483174  0.441694  0.515773  1
  Cu  Cu198  1  0.550788  0.797446  0.494824  1
  Cu  Cu199  1  0.257232  0.308229  0.485657  1
  Cu  Cu200  1  0.757232  0.308229  0.485657  1
  Cu  Cu201  1  0.324709  0.664078  0.464690  1
  Cu  Cu202  1  0.189614  0.952249  0.506453  1
  Cu  Cu203  1  0.824709  0.664078  0.464690  1
  Cu  Cu204  1  0.689614  0.952249  0.506453  1
  Cu  Cu205  1  0.372389  0.403049  0.474787  1
  Cu  Cu206  1  0.872389  0.403049  0.474787  1
  Cu  Cu207  1  0.237026  0.691093  0.516510  1
  Cu  Cu208  1  0.304706  0.047099  0.495582  1
  Cu  Cu209  1  0.737026  0.691093  0.516510  1
  Cu  Cu210  1  0.804706  0.047099  0.495582  1
  Cu  Cu211  1  0.237397  0.190926  0.516402  1
  Cu  Cu212  1  0.737397  0.190926  0.516402  1
  Cu  Cu213  1  0.305044  0.546735  0.495604  1
  Cu  Cu214  1  0.372649  0.902501  0.474712  1
  Cu  Cu215  1  0.805044  0.546735  0.495604  1
  Cu  Cu216  1  0.872649  0.902501  0.474712  1
  Cu  Cu217  1  0.867956  0.347015  0.526625  1
  Cu  Cu218  1  0.367956  0.347015  0.526625  1
  Cu  Cu219  1  0.935646  0.702698  0.505694  1
  Cu  Cu220  1  0.003436  0.058650  0.484810  1
  Cu  Cu221  1  0.435646  0.702698  0.505694  1
  Cu  Cu222  1  0.503436  0.058650  0.484810  1
  Cu  Cu223  1  0.935383  0.203148  0.505735  1
  Cu  Cu224  1  0.435383  0.203148  0.505735  1
  Cu  Cu225  1  0.002864  0.558984  0.484884  1
  Cu  Cu226  1  0.867690  0.847172  0.526568  1
  Cu  Cu227  1  0.502864  0.558984  0.484884  1
  Cu  Cu228  1  0.367690  0.847172  0.526568  1
  Cu  Cu229  1  0.915504  0.085815  0.536566  1
  Cu  Cu230  1  0.415504  0.085815  0.536566  1
  Cu  Cu231  1  0.779965  0.374072  0.578515  1
  Cu  Cu232  1  0.847859  0.729887  0.557481  1
  Cu  Cu233  1  0.279965  0.374072  0.578515  1
  Cu  Cu234  1  0.347859  0.729887  0.557481  1
  Cu  Cu235  1  0.054221  0.240616  0.548282  1
  Cu  Cu236  1  0.554221  0.240616  0.548282  1
  Cu  Cu237  1  0.121823  0.596352  0.527396  1
  Cu  Cu238  1  0.986534  0.884688  0.569033  1
  Cu  Cu239  1  0.621823  0.596352  0.527396  1
  Cu  Cu240  1  0.486534  0.884688  0.569033  1
  Cu  Cu241  1  0.169257  0.335359  0.537429  1
  Cu  Cu242  1  0.669257  0.335359  0.537429  1
  Cu  Cu243  1  0.033958  0.623489  0.579217  1
  Cu  Cu244  1  0.101532  0.979475  0.558148  1
  Cu  Cu245  1  0.533958  0.623489  0.579217  1
  Cu  Cu246  1  0.601532  0.979475  0.558148  1
  Cu  Cu247  1  0.034149  0.123165  0.579018  1
  Cu  Cu248  1  0.534149  0.123165  0.579018  1
  Cu  Cu249  1  0.101937  0.478945  0.558308  1
  Cu  Cu250  1  0.169659  0.834932  0.537324  1
  Cu  Cu251  1  0.601937  0.478945  0.558308  1
  Cu  Cu252  1  0.669659  0.834932  0.537324  1
  Cu  Cu253  1  0.664856  0.279443  0.589322  1
  Cu  Cu254  1  0.164856  0.279443  0.589322  1
  Cu  Cu255  1  0.732603  0.635200  0.568365  1
  Cu  Cu256  1  0.800469  0.991069  0.547408  1
  Cu  Cu257  1  0.232603  0.635200  0.568365  1
  Cu  Cu258  1  0.300469  0.991069  0.547408  1
  Cu  Cu259  1  0.732427  0.135664  0.568205  1
  Cu  Cu260  1  0.232427  0.135664  0.568205  1
  Cu  Cu261  1  0.799968  0.491306  0.547499  1
  Cu  Cu262  1  0.664800  0.779451  0.589197  1
  Cu  Cu263  1  0.299968  0.491306  0.547499  1
  Cu  Cu264  1  0.164800  0.779451  0.589197  1
  Cu  Cu265  1  0.712469  0.018435  0.599052  1
  Cu  Cu266  1  0.212469  0.018435  0.599052  1
  Cu  Cu267  1  0.576717  0.305355  0.641432  1
  Cu  Cu268  1  0.644712  0.662021  0.620351  1
  Cu  Cu269  1  0.076717  0.305355  0.641432  1
  Cu  Cu270  1  0.144712  0.662021  0.620351  1
  Cu  Cu271  1  0.851251  0.173184  0.610764  1
  Cu  Cu272  1  0.351251  0.173184  0.610764  1
  Cu  Cu273  1  0.918863  0.528609  0.590132  1
  Cu  Cu274  1  0.783852  0.817223  0.631533  1
  Cu  Cu275  1  0.418863  0.528609  0.590132  1
  Cu  Cu276  1  0.283852  0.817223  0.631533  1
  Cu  Cu277  1  0.966229  0.267672  0.600112  1
  Cu  Cu278  1  0.466229  0.267672  0.600112  1
  Cu  Cu279  1  0.830449  0.555936  0.642008  1
  Cu  Cu280  1  0.899390  0.911961  0.620830  1
  Cu  Cu281  1  0.330449  0.555936  0.642008  1
  Cu  Cu282  1  0.399390  0.911961  0.620830  1
  Cu  Cu283  1  0.832995  0.056117  0.642211  1
  Cu  Cu284  1  0.332995  0.056117  0.642211  1
  Cu  Cu285  1  0.899093  0.411207  0.621081  1
  Cu  Cu286  1  0.966906  0.767296  0.599981  1
  Cu  Cu287  1  0.399093  0.411207  0.621081  1
  Cu  Cu288  1  0.466906  0.767296  0.599981  1
  Cu  Cu289  1  0.462049  0.211481  0.652171  1
  Cu  Cu290  1  0.962049  0.211481  0.652171  1
  Cu  Cu291  1  0.529289  0.567236  0.631279  1
  Cu  Cu292  1  0.597287  0.923650  0.609842  1
  Cu  Cu293  1  0.029289  0.567236  0.631279  1
  Cu  Cu294  1  0.097287  0.923650  0.609842  1
  Cu  Cu295  1  0.528392  0.068383  0.631276  1
  Cu  Cu296  1  0.028392  0.068383  0.631276  1
  Cu  Cu297  1  0.596534  0.423497  0.610398  1
  Cu  Cu298  1  0.461273  0.712589  0.651987  1
  Cu  Cu299  1  0.096534  0.423497  0.610398  1
  Cu  Cu300  1  0.961273  0.712589  0.651987  1
  Cu  Cu301  1  0.511321  0.950347  0.661731  1
  Cu  Cu302  1  0.011321  0.950347  0.661731  1
  Cu  Cu303  1  0.368637  0.240014  0.702434  1
  Cu  Cu304  1  0.442144  0.594349  0.682850  1
  Cu  Cu305  1  0.868637  0.240014  0.702434  1
  Cu  Cu306  1  0.942144  0.594349  0.682850  1
  Cu  Cu307  1  0.646746  0.106020  0.672775  1
  Cu  Cu308  1  0.146746  0.106020  0.672775  1
  Cu  Cu309  1  0.714898  0.461920  0.652097  1
  Cu  Cu310  1  0.581870  0.751064  0.694036  1
  Cu  Cu311  1  0.214898  0.461920  0.652097  1
  Cu  Cu312  1  0.081870  0.751064  0.694036  1
  Cu  Cu313  1  0.763133  0.199199  0.662261  1
  Cu  Cu314  1  0.263133  0.199199  0.662261  1
  Cu  Cu315  1  0.630605  0.487271  0.702767  1
  Cu  Cu316  1  0.698924  0.843068  0.683581  1
  Cu  Cu317  1  0.130605  0.487271  0.702767  1
  Cu  Cu318  1  0.198924  0.843068  0.683581  1
  Cu  Cu319  1  0.635067  0.984742  0.703463  1
  Cu  Cu320  1  0.135067  0.984742  0.703463  1
  Cu  Cu321  1  0.695586  0.344135  0.683448  1
  Cu  Cu322  1  0.765310  0.699986  0.662319  1
  Cu  Cu323  1  0.195586  0.344135  0.683448  1
  Cu  Cu324  1  0.265310  0.699986  0.662319  1
  Cu  Cu325  1  0.257864  0.141498  0.712295  1
  Cu  Cu326  1  0.757864  0.141498  0.712295  1
  Cu  Cu327  1  0.326732  0.499181  0.693453  1
  Cu  Cu328  1  0.394942  0.855735  0.672598  1
  Cu  Cu329  1  0.826732  0.499181  0.693453  1
  Cu  Cu330  1  0.894942  0.855735  0.672598  1
  Cu  Cu331  1  0.327556  0.999039  0.693026  1
  Cu  Cu332  1  0.827556  0.999039  0.693026  1
  Cu  Cu333  1  0.391511  0.356251  0.673190  1
  Cu  Cu334  1  0.261969  0.643721  0.712474  1
  Cu  Cu335  1  0.891511  0.356251  0.673190  1
  Cu  Cu336  1  0.761969  0.643721  0.712474  1
