# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93589646
_cell_length_b   22.43962537
_cell_length_c   48.25809566
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.75900023
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al216 Cu72'
_cell_volume   9669.22420653
_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  0.931432  0.765888  0.315336  1
  Al  Al2  1  0.264765  0.432555  0.315336  1
  Al  Al3  1  0.315500  0.774647  0.282542  1
  Al  Al4  1  0.598098  0.099221  0.315336  1
  Al  Al5  1  0.648834  0.441314  0.282542  1
  Al  Al6  1  0.623773  0.769850  0.296931  1
  Al  Al7  1  0.982167  0.107980  0.282542  1
  Al  Al8  1  0.957106  0.436517  0.296931  1
  Al  Al9  1  0.290440  0.103183  0.296931  1
  Al  Al10  1  0.813894  0.865396  0.287361  1
  Al  Al11  1  0.147228  0.532063  0.287361  1
  Al  Al12  1  0.112727  0.860433  0.302868  1
  Al  Al13  1  0.480561  0.198730  0.287361  1
  Al  Al14  1  0.446061  0.527099  0.302868  1
  Al  Al15  1  0.417219  0.847920  0.322770  1
  Al  Al16  1  0.779394  0.193766  0.302868  1
  Al  Al17  1  0.750552  0.514587  0.322770  1
  Al  Al18  1  0.083886  0.181253  0.322770  1
  Al  Al19  1  0.837727  0.686302  0.278008  1
  Al  Al20  1  0.171060  0.352968  0.278008  1
  Al  Al21  1  0.135342  0.676377  0.293122  1
  Al  Al22  1  0.504393  0.019635  0.278008  1
  Al  Al23  1  0.468675  0.343044  0.293122  1
  Al  Al24  1  0.435026  0.674706  0.310515  1
  Al  Al25  1  0.802008  0.009710  0.293122  1
  Al  Al26  1  0.768359  0.341372  0.310515  1
  Al  Al27  1  0.101692  1.008039  0.310515  1
  Al  Al28  1  0.830302  0.750608  0.373507  1
  Al  Al29  1  0.163635  0.417274  0.373507  1
  Al  Al30  1  0.225899  0.757684  0.335361  1
  Al  Al31  1  0.496968  0.083941  0.373507  1
  Al  Al32  1  0.559232  0.424350  0.335361  1
  Al  Al33  1  0.526127  0.753260  0.354062  1
  Al  Al34  1  0.892565  0.091017  0.335361  1
  Al  Al35  1  0.859460  0.419926  0.354062  1
  Al  Al36  1  0.192794  0.086593  0.354062  1
  Al  Al37  1  0.719446  0.843481  0.340917  1
  Al  Al38  1  0.052779  0.510148  0.340917  1
  Al  Al39  1  0.022829  0.840892  0.359114  1
  Al  Al40  1  0.386112  0.176815  0.340917  1
  Al  Al41  1  0.356162  0.507559  0.359114  1
  Al  Al42  1  0.321018  0.836692  0.378073  1
  Al  Al43  1  0.689495  0.174226  0.359114  1
  Al  Al44  1  0.654352  0.503358  0.378073  1
  Al  Al45  1  0.987685  0.170025  0.378073  1
  Al  Al46  1  0.735774  0.675985  0.331556  1
  Al  Al47  1  0.069107  0.342651  0.331556  1
  Al  Al48  1  0.034821  0.669447  0.349778  1
  Al  Al49  1  0.402440  0.009318  0.331556  1
  Al  Al50  1  0.368154  0.336113  0.349778  1
  Al  Al51  1  0.339317  0.663185  0.368471  1
  Al  Al52  1  0.701488  1.002780  0.349778  1
  Al  Al53  1  0.672651  0.329852  0.368471  1
  Al  Al54  1  0.005984  0.996519  0.368471  1
  Al  Al55  1  0.731346  0.735868  0.429176  1
  Al  Al56  1  0.064679  0.402535  0.429176  1
  Al  Al57  1  0.130753  0.745237  0.392095  1
  Al  Al58  1  0.398012  0.069201  0.429176  1
  Al  Al59  1  0.464086  0.411904  0.392095  1
  Al  Al60  1  0.431018  0.740441  0.410591  1
  Al  Al61  1  0.797420  0.078570  0.392095  1
  Al  Al62  1  0.764351  0.407108  0.410591  1
  Al  Al63  1  0.097684  0.073775  0.410591  1
  Al  Al64  1  0.620457  0.832375  0.396622  1
  Al  Al65  1  0.953790  0.499041  0.396622  1
  Al  Al66  1  0.921780  0.828282  0.415379  1
  Al  Al67  1  0.287123  0.165708  0.396622  1
  Al  Al68  1  0.255114  0.494949  0.415379  1
  Al  Al69  1  0.221994  0.823217  0.434116  1
  Al  Al70  1  0.588447  0.161615  0.415379  1
  Al  Al71  1  0.555327  0.489883  0.434116  1
  Al  Al72  1  0.888660  0.156550  0.434116  1
  Al  Al73  1  0.639933  0.657986  0.387055  1
  Al  Al74  1  0.973266  0.324652  0.387055  1
  Al  Al75  1  0.939561  0.652728  0.405394  1
  Al  Al76  1  0.306600  0.991319  0.387055  1
  Al  Al77  1  0.272895  0.319395  0.405394  1
  Al  Al78  1  0.239614  0.647711  0.423963  1
  Al  Al79  1  0.606228  0.986061  0.405394  1
  Al  Al80  1  0.572947  0.314377  0.423963  1
  Al  Al81  1  0.906280  0.981044  0.423963  1
  Al  Al82  1  0.632153  0.721513  0.484957  1
  Al  Al83  1  0.965487  0.388179  0.484957  1
  Al  Al84  1  0.031271  0.730895  0.447670  1
  Al  Al85  1  0.298820  0.054846  0.484957  1
  Al  Al86  1  0.364605  0.397562  0.447670  1
  Al  Al87  1  0.331488  0.726012  0.466240  1
  Al  Al88  1  0.697938  0.064228  0.447670  1
  Al  Al89  1  0.664822  0.392679  0.466240  1
  Al  Al90  1  0.998155  0.059346  0.466240  1
  Al  Al91  1  0.522313  0.818261  0.452726  1
  Al  Al92  1  0.855646  0.484928  0.452726  1
  Al  Al93  1  0.822984  0.813596  0.471368  1
  Al  Al94  1  0.188979  0.151594  0.452726  1
  Al  Al95  1  0.156317  0.480263  0.471368  1
  Al  Al96  1  0.123392  0.808697  0.489948  1
  Al  Al97  1  0.489651  0.146929  0.471368  1
  Al  Al98  1  0.456725  0.475364  0.489948  1
  Al  Al99  1  0.790058  0.142031  0.489948  1
  Al  Al100  1  0.540047  0.643355  0.442665  1
  Al  Al101  1  0.873381  0.310022  0.442665  1
  Al  Al102  1  0.840353  0.638842  0.461325  1
  Al  Al103  1  0.206714  0.976689  0.442665  1
  Al  Al104  1  0.173686  0.305508  0.461325  1
  Al  Al105  1  0.140652  0.634112  0.479955  1
  Al  Al106  1  0.507019  0.972175  0.461325  1
  Al  Al107  1  0.473985  0.300779  0.479955  1
  Al  Al108  1  0.807319  0.967446  0.479955  1
  Al  Al109  1  0.533887  0.707726  0.540970  1
  Al  Al110  1  0.867220  0.374393  0.540970  1
  Al  Al111  1  0.932545  0.716821  0.503650  1
  Al  Al112  1  0.200554  0.041060  0.540970  1
  Al  Al113  1  0.265878  0.383487  0.503650  1
  Al  Al114  1  0.233129  0.712105  0.522220  1
  Al  Al115  1  0.599211  0.050154  0.503650  1
  Al  Al116  1  0.566463  0.378772  0.522220  1
  Al  Al117  1  0.899796  0.045438  0.522220  1
  Al  Al118  1  0.423801  0.803948  0.508513  1
  Al  Al119  1  0.757135  0.470614  0.508513  1
  Al  Al120  1  0.724561  0.799498  0.527303  1
  Al  Al121  1  0.090468  0.137281  0.508513  1
  Al  Al122  1  0.057894  0.466165  0.527303  1
  Al  Al123  1  0.024913  0.794774  0.545923  1
  Al  Al124  1  0.391227  0.132831  0.527303  1
  Al  Al125  1  0.358246  0.461440  0.545923  1
  Al  Al126  1  0.691579  0.128107  0.545923  1
  Al  Al127  1  0.441415  0.629668  0.498639  1
  Al  Al128  1  0.774748  0.296334  0.498639  1
  Al  Al129  1  0.741706  0.624950  0.517281  1
  Al  Al130  1  0.108082  0.963001  0.498639  1
  Al  Al131  1  0.075040  0.291616  0.517281  1
  Al  Al132  1  0.042076  0.619981  0.535838  1
  Al  Al133  1  0.408373  0.958283  0.517281  1
  Al  Al134  1  0.375410  0.286647  0.535838  1
  Al  Al135  1  0.708743  0.953314  0.535838  1
  Al  Al136  1  0.434836  0.693600  0.596547  1
  Al  Al137  1  0.768169  0.360266  0.596547  1
  Al  Al138  1  0.833536  0.702731  0.559657  1
  Al  Al139  1  0.101503  0.026933  0.596547  1
  Al  Al140  1  0.166869  0.369398  0.559657  1
  Al  Al141  1  0.133743  0.697578  0.577922  1
  Al  Al142  1  0.500203  0.036065  0.559657  1
  Al  Al143  1  0.467077  0.364245  0.577922  1
  Al  Al144  1  0.800410  0.030912  0.577922  1
  Al  Al145  1  0.325125  0.790306  0.564474  1
  Al  Al146  1  0.658458  0.456973  0.564474  1
  Al  Al147  1  0.625811  0.786221  0.583476  1
  Al  Al148  1  0.991791  0.123639  0.564474  1
  Al  Al149  1  0.959144  0.452888  0.583476  1
  Al  Al150  1  0.925580  0.780817  0.601851  1
  Al  Al151  1  0.292478  0.119554  0.583476  1
  Al  Al152  1  0.258913  0.447484  0.601851  1
  Al  Al153  1  0.592247  0.114151  0.601851  1
  Al  Al154  1  0.343153  0.615416  0.554439  1
  Al  Al155  1  0.676486  0.282083  0.554439  1
  Al  Al156  1  0.642926  0.610294  0.573117  1
  Al  Al157  1  0.009820  0.948749  0.554439  1
  Al  Al158  1  0.976259  0.276961  0.573117  1
  Al  Al159  1  0.942865  0.605003  0.591725  1
  Al  Al160  1  0.309592  0.943627  0.573117  1
  Al  Al161  1  0.276198  0.271670  0.591725  1
  Al  Al162  1  0.609531  0.938336  0.591725  1
  Al  Al163  1  0.340576  0.680703  0.652587  1
  Al  Al164  1  0.673909  0.347369  0.652587  1
  Al  Al165  1  0.733258  0.687866  0.615265  1
  Al  Al166  1  0.007242  0.014036  0.652587  1
  Al  Al167  1  0.066592  0.354533  0.615265  1
  Al  Al168  1  0.034378  0.681974  0.633496  1
  Al  Al169  1  0.399925  0.021200  0.615265  1
  Al  Al170  1  0.367711  0.348640  0.633496  1
  Al  Al171  1  0.701045  0.015307  0.633496  1
  Al  Al172  1  0.224586  0.775232  0.619908  1
  Al  Al173  1  0.557919  0.441899  0.619908  1
  Al  Al174  1  0.528100  0.771257  0.639240  1
  Al  Al175  1  0.891253  0.108565  0.619908  1
  Al  Al176  1  0.861433  0.437924  0.639240  1
  Al  Al177  1  0.828577  0.763433  0.656839  1
  Al  Al178  1  0.194767  0.104590  0.639240  1
  Al  Al179  1  0.161911  0.430100  0.656839  1
  Al  Al180  1  0.495244  0.096766  0.656839  1
  Al  Al181  1  0.245197  0.601443  0.610482  1
  Al  Al182  1  0.578531  0.268110  0.610482  1
  Al  Al183  1  0.543599  0.597052  0.629399  1
  Al  Al184  1  0.911864  0.934777  0.610482  1
  Al  Al185  1  0.876932  0.263719  0.629399  1
  Al  Al186  1  0.842386  0.592291  0.648117  1
  Al  Al187  1  0.210265  0.930385  0.629399  1
  Al  Al188  1  0.175720  0.258958  0.648117  1
  Al  Al189  1  0.509053  0.925624  0.648117  1
  Al  Al190  1  0.244192  0.668986  0.707171  1
  Al  Al191  1  0.577525  0.335653  0.707171  1
  Al  Al192  1  0.639124  0.673835  0.672785  1
  Al  Al193  1  0.910858  1.002320  0.707171  1
  Al  Al194  1  0.972457  0.340501  0.672785  1
  Al  Al195  1  0.938917  0.666714  0.691935  1
  Al  Al196  1  0.305790  1.007168  0.672785  1
  Al  Al197  1  0.272250  0.333381  0.691935  1
  Al  Al198  1  0.605583  1.000047  0.691935  1
  Al  Al199  1  0.124182  0.757056  0.674763  1
  Al  Al200  1  0.457516  0.423723  0.674763  1
  Al  Al201  1  0.436893  0.759694  0.695467  1
  Al  Al202  1  0.790849  0.090389  0.674763  1
  Al  Al203  1  0.770227  0.426361  0.695467  1
  Al  Al204  1  0.736884  0.753171  0.710800  1
  Al  Al205  1  0.103560  0.093028  0.695467  1
  Al  Al206  1  0.070217  0.419838  0.710800  1
  Al  Al207  1  0.403550  0.086504  0.710800  1
  Al  Al208  1  0.148561  0.590919  0.666683  1
  Al  Al209  1  0.481894  0.257586  0.666683  1
  Al  Al210  1  0.447771  0.585887  0.685496  1
  Al  Al211  1  0.815228  0.924252  0.666683  1
  Al  Al212  1  0.781105  0.252554  0.685496  1
  Al  Al213  1  0.748113  0.572166  0.702701  1
  Al  Al214  1  0.114438  0.919220  0.685496  1
  Al  Al215  1  0.081447  0.238833  0.702701  1
  Al  Al216  1  0.414780  0.905500  0.702701  1
  Cu  Cu217  1  0.938217  0.598569  0.310789  1
  Cu  Cu218  1  0.271550  0.265235  0.310789  1
  Cu  Cu219  1  0.240797  0.595399  0.329083  1
  Cu  Cu220  1  0.604884  0.931902  0.310789  1
  Cu  Cu221  1  0.574130  0.262065  0.329083  1
  Cu  Cu222  1  0.656880  0.603058  0.292594  1
  Cu  Cu223  1  0.907464  0.928732  0.329083  1
  Cu  Cu224  1  0.990214  0.269725  0.292594  1
  Cu  Cu225  1  0.323547  0.936391  0.292594  1
  Cu  Cu226  1  0.845442  0.585553  0.363529  1
  Cu  Cu227  1  0.178775  0.252220  0.363529  1
  Cu  Cu228  1  0.145764  0.580534  0.382010  1
  Cu  Cu229  1  0.512109  0.918887  0.363529  1
  Cu  Cu230  1  0.479097  0.247200  0.382010  1
  Cu  Cu231  1  0.547385  0.590970  0.345376  1
  Cu  Cu232  1  0.812431  0.913867  0.382010  1
  Cu  Cu233  1  0.880718  0.257636  0.345376  1
  Cu  Cu234  1  0.214052  0.924303  0.345376  1
  Cu  Cu235  1  0.747368  0.571154  0.419696  1
  Cu  Cu236  1  0.080701  0.237821  0.419696  1
  Cu  Cu237  1  0.047208  0.566423  0.438377  1
  Cu  Cu238  1  0.414035  0.904488  0.419696  1
  Cu  Cu239  1  0.380541  0.233090  0.438377  1
  Cu  Cu240  1  0.447387  0.575905  0.400796  1
  Cu  Cu241  1  0.713875  0.899757  0.438377  1
  Cu  Cu242  1  0.780720  0.242571  0.400796  1
  Cu  Cu243  1  0.114054  0.909238  0.400796  1
  Cu  Cu244  1  0.648573  0.557244  0.475749  1
  Cu  Cu245  1  0.981907  0.223910  0.475749  1
  Cu  Cu246  1  0.948782  0.552453  0.494303  1
  Cu  Cu247  1  0.315240  0.890577  0.475749  1
  Cu  Cu248  1  0.282115  0.219119  0.494303  1
  Cu  Cu249  1  0.348218  0.561918  0.457148  1
  Cu  Cu250  1  0.615448  0.885786  0.494303  1
  Cu  Cu251  1  0.681551  0.228585  0.457148  1
  Cu  Cu252  1  0.014885  0.895252  0.457148  1
  Cu  Cu253  1  0.549930  0.543054  0.531427  1
  Cu  Cu254  1  0.883263  0.209721  0.531427  1
  Cu  Cu255  1  0.850143  0.538255  0.550006  1
  Cu  Cu256  1  0.216596  0.876388  0.531427  1
  Cu  Cu257  1  0.183476  0.204921  0.550006  1
  Cu  Cu258  1  0.249728  0.547811  0.512913  1
  Cu  Cu259  1  0.516810  0.871588  0.550006  1
  Cu  Cu260  1  0.583061  0.214478  0.512913  1
  Cu  Cu261  1  0.916395  0.881144  0.512913  1
  Cu  Cu262  1  0.451159  0.529179  0.587577  1
  Cu  Cu263  1  0.784493  0.195845  0.587577  1
  Cu  Cu264  1  0.750270  0.524225  0.606473  1
  Cu  Cu265  1  0.117826  0.862512  0.587577  1
  Cu  Cu266  1  0.083603  0.190891  0.606473  1
  Cu  Cu267  1  0.151667  0.533904  0.568830  1
  Cu  Cu268  1  0.416936  0.857558  0.606473  1
  Cu  Cu269  1  0.485000  0.200570  0.568830  1
  Cu  Cu270  1  0.818334  0.867237  0.568830  1
  Cu  Cu271  1  0.352545  0.515250  0.643757  1
  Cu  Cu272  1  0.685878  0.181917  0.643757  1
  Cu  Cu273  1  0.648151  0.508807  0.661265  1
  Cu  Cu274  1  0.019212  0.848584  0.643757  1
  Cu  Cu275  1  0.981485  0.175474  0.661265  1
  Cu  Cu276  1  0.054100  0.520461  0.625397  1
  Cu  Cu277  1  0.314818  0.842141  0.661265  1
  Cu  Cu278  1  0.387434  0.187128  0.625397  1
  Cu  Cu279  1  0.720767  0.853795  0.625397  1
  Cu  Cu280  1  0.257548  0.501238  0.695971  1
  Cu  Cu281  1  0.590881  0.167905  0.695971  1
  Cu  Cu282  1  0.541589  0.492740  0.712750  1
  Cu  Cu283  1  0.924215  0.834571  0.695971  1
  Cu  Cu284  1  0.874923  0.159407  0.712750  1
  Cu  Cu285  1  0.963345  0.506997  0.678954  1
  Cu  Cu286  1  0.208256  0.826073  0.712750  1
  Cu  Cu287  1  0.296679  0.173664  0.678954  1
  Cu  Cu288  1  0.630012  0.840330  0.678954  1
