# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.63479764
_cell_length_b   13.81294029
_cell_length_c   48.60702910
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.24504896
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al84 Cu252'
_cell_volume   9716.01680248
_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  0.721704  0.922941  0.306021  1
  Al  Al2  1  0.354301  0.982981  0.287408  1
  Al  Al3  1  0.092414  0.868900  0.329863  1
  Al  Al4  1  0.092414  0.368900  0.329863  1
  Al  Al5  1  0.721704  0.422941  0.306021  1
  Al  Al6  1  0.354301  0.482981  0.287408  1
  Al  Al7  1  0.945746  0.594803  0.339407  1
  Al  Al8  1  0.574515  0.652316  0.316553  1
  Al  Al9  1  0.206409  0.705096  0.295813  1
  Al  Al10  1  0.206409  0.205096  0.295813  1
  Al  Al11  1  0.945746  0.094803  0.339407  1
  Al  Al12  1  0.574515  0.152316  0.316553  1
  Al  Al13  1  0.834126  0.758382  0.370432  1
  Al  Al14  1  0.463914  0.815044  0.349874  1
  Al  Al15  1  0.205269  0.703568  0.391386  1
  Al  Al16  1  0.205269  0.203568  0.391386  1
  Al  Al17  1  0.834126  0.258382  0.370432  1
  Al  Al18  1  0.463914  0.315044  0.349874  1
  Al  Al19  1  0.056162  0.427741  0.401468  1
  Al  Al20  1  0.685603  0.483264  0.380909  1
  Al  Al21  1  0.315151  0.539068  0.359821  1
  Al  Al22  1  0.315151  0.039068  0.359821  1
  Al  Al23  1  0.056162  0.927741  0.401468  1
  Al  Al24  1  0.685603  0.983264  0.380909  1
  Al  Al25  1  0.946060  0.592325  0.433125  1
  Al  Al26  1  0.575778  0.648171  0.412037  1
  Al  Al27  1  0.316696  0.537083  0.453966  1
  Al  Al28  1  0.316696  0.037083  0.453966  1
  Al  Al29  1  0.946060  0.092325  0.433125  1
  Al  Al30  1  0.575778  0.148171  0.412037  1
  Al  Al31  1  0.167953  0.261385  0.464143  1
  Al  Al32  1  0.797290  0.316941  0.443169  1
  Al  Al33  1  0.426921  0.372372  0.422339  1
  Al  Al34  1  0.426921  0.872372  0.422339  1
  Al  Al35  1  0.167953  0.761385  0.464143  1
  Al  Al36  1  0.797290  0.816941  0.443169  1
  Al  Al37  1  0.057566  0.425969  0.495725  1
  Al  Al38  1  0.687013  0.481447  0.474880  1
  Al  Al39  1  0.428045  0.370480  0.516571  1
  Al  Al40  1  0.428045  0.870480  0.516571  1
  Al  Al41  1  0.057566  0.925969  0.495725  1
  Al  Al42  1  0.687013  0.981447  0.474880  1
  Al  Al43  1  0.279387  0.094892  0.526609  1
  Al  Al44  1  0.908883  0.150449  0.505814  1
  Al  Al45  1  0.538488  0.206001  0.484949  1
  Al  Al46  1  0.538488  0.706001  0.484949  1
  Al  Al47  1  0.279387  0.594892  0.526609  1
  Al  Al48  1  0.908883  0.650449  0.505814  1
  Al  Al49  1  0.168876  0.259471  0.558391  1
  Al  Al50  1  0.798655  0.314871  0.537497  1
  Al  Al51  1  0.539775  0.203962  0.579107  1
  Al  Al52  1  0.539775  0.703962  0.579107  1
  Al  Al53  1  0.168876  0.759471  0.558391  1
  Al  Al54  1  0.798655  0.814871  0.537497  1
  Al  Al55  1  0.390555  0.928198  0.589369  1
  Al  Al56  1  0.020234  0.984041  0.568327  1
  Al  Al57  1  0.649931  0.039480  0.547607  1
  Al  Al58  1  0.649931  0.539480  0.547607  1
  Al  Al59  1  0.390555  0.428198  0.589369  1
  Al  Al60  1  0.020234  0.484041  0.568327  1
  Al  Al61  1  0.280635  0.093390  0.620511  1
  Al  Al62  1  0.910082  0.148359  0.599950  1
  Al  Al63  1  0.650932  0.036284  0.641604  1
  Al  Al64  1  0.650932  0.536284  0.641604  1
  Al  Al65  1  0.280635  0.593390  0.620511  1
  Al  Al66  1  0.910082  0.648359  0.599950  1
  Al  Al67  1  0.502635  0.761581  0.651406  1
  Al  Al68  1  0.131714  0.818058  0.631248  1
  Al  Al69  1  0.761517  0.873014  0.610209  1
  Al  Al70  1  0.761517  0.373014  0.610209  1
  Al  Al71  1  0.502635  0.261581  0.651406  1
  Al  Al72  1  0.131714  0.318058  0.631248  1
  Al  Al73  1  0.391553  0.924077  0.684874  1
  Al  Al74  1  0.021814  0.982962  0.661615  1
  Al  Al75  1  0.761817  0.865450  0.704432  1
  Al  Al76  1  0.761817  0.365450  0.704432  1
  Al  Al77  1  0.391553  0.424077  0.684874  1
  Al  Al78  1  0.021814  0.482962  0.661615  1
  Al  Al79  1  0.613272  0.595145  0.712884  1
  Al  Al80  1  0.245341  0.655428  0.695245  1
  Al  Al81  1  0.873158  0.707276  0.675151  1
  Al  Al82  1  0.873158  0.207276  0.675151  1
  Al  Al83  1  0.613272  0.095145  0.712884  1
  Al  Al84  1  0.245341  0.155428  0.695245  1
  Cu  Cu85  1  0.776979  0.591470  0.338871  1
  Cu  Cu86  1  0.405280  0.649481  0.317515  1
  Cu  Cu87  1  0.037052  0.703586  0.297253  1
  Cu  Cu88  1  0.037052  0.203586  0.297253  1
  Cu  Cu89  1  0.776979  0.091470  0.338871  1
  Cu  Cu90  1  0.405280  0.149481  0.317515  1
  Cu  Cu91  1  0.891656  0.926950  0.308308  1
  Cu  Cu92  1  0.521934  0.978831  0.288870  1
  Cu  Cu93  1  0.261685  0.870292  0.329227  1
  Cu  Cu94  1  0.261685  0.370292  0.329227  1
  Cu  Cu95  1  0.891656  0.426950  0.308308  1
  Cu  Cu96  1  0.521934  0.478831  0.288870  1
  Cu  Cu97  1  0.698041  0.094570  0.293774  1
  Cu  Cu98  1  0.436859  0.982930  0.334131  1
  Cu  Cu99  1  0.065761  0.037691  0.312730  1
  Cu  Cu100  1  0.065761  0.537691  0.312730  1
  Cu  Cu101  1  0.698041  0.594570  0.293774  1
  Cu  Cu102  1  0.436859  0.482930  0.334131  1
  Cu  Cu103  1  0.752737  0.759202  0.323250  1
  Cu  Cu104  1  0.380853  0.816579  0.303128  1
  Cu  Cu105  1  0.009744  0.870077  0.284355  1
  Cu  Cu106  1  0.009744  0.370077  0.284355  1
  Cu  Cu107  1  0.752737  0.259202  0.323250  1
  Cu  Cu108  1  0.380853  0.316579  0.303128  1
  Cu  Cu109  1  0.862791  0.096925  0.293470  1
  Cu  Cu110  1  0.603284  0.983767  0.334088  1
  Cu  Cu111  1  0.231284  0.038894  0.313055  1
  Cu  Cu112  1  0.231284  0.538894  0.313055  1
  Cu  Cu113  1  0.862791  0.596925  0.293470  1
  Cu  Cu114  1  0.603284  0.483767  0.334088  1
  Cu  Cu115  1  0.915254  0.760643  0.323258  1
  Cu  Cu116  1  0.544971  0.817572  0.303105  1
  Cu  Cu117  1  0.175411  0.873566  0.283620  1
  Cu  Cu118  1  0.175411  0.373566  0.283620  1
  Cu  Cu119  1  0.915254  0.260643  0.323258  1
  Cu  Cu120  1  0.544971  0.317572  0.303105  1
  Cu  Cu121  1  0.888274  0.427839  0.400747  1
  Cu  Cu122  1  0.518226  0.483906  0.380207  1
  Cu  Cu123  1  0.147272  0.539143  0.359274  1
  Cu  Cu124  1  0.147272  0.039143  0.359274  1
  Cu  Cu125  1  0.888274  0.927839  0.400747  1
  Cu  Cu126  1  0.518226  0.983906  0.380207  1
  Cu  Cu127  1  1.002005  0.758278  0.371348  1
  Cu  Cu128  1  0.632453  0.815391  0.349778  1
  Cu  Cu129  1  0.372928  0.703347  0.391890  1
  Cu  Cu130  1  0.372928  0.203347  0.391890  1
  Cu  Cu131  1  1.002005  0.258278  0.371348  1
  Cu  Cu132  1  0.632453  0.315391  0.349778  1
  Cu  Cu133  1  0.805701  0.925566  0.354204  1
  Cu  Cu134  1  0.547758  0.814994  0.396522  1
  Cu  Cu135  1  0.177482  0.870359  0.375946  1
  Cu  Cu136  1  0.177482  0.370359  0.375946  1
  Cu  Cu137  1  0.805701  0.425566  0.354204  1
  Cu  Cu138  1  0.547758  0.314994  0.396522  1
  Cu  Cu139  1  0.862246  0.591841  0.386305  1
  Cu  Cu140  1  0.492691  0.648605  0.364767  1
  Cu  Cu141  1  0.122976  0.703499  0.343918  1
  Cu  Cu142  1  0.122976  0.203499  0.343918  1
  Cu  Cu143  1  0.862246  0.091841  0.386305  1
  Cu  Cu144  1  0.492691  0.148605  0.364767  1
  Cu  Cu145  1  0.971998  0.927199  0.354505  1
  Cu  Cu146  1  0.713748  0.816220  0.396071  1
  Cu  Cu147  1  0.343255  0.872046  0.375422  1
  Cu  Cu148  1  0.343255  0.372046  0.375422  1
  Cu  Cu149  1  0.971998  0.427199  0.354505  1
  Cu  Cu150  1  0.713748  0.316220  0.396071  1
  Cu  Cu151  1  0.029002  0.594585  0.386010  1
  Cu  Cu152  1  0.657553  0.650380  0.364352  1
  Cu  Cu153  1  0.287092  0.705906  0.344058  1
  Cu  Cu154  1  0.287092  0.205906  0.344058  1
  Cu  Cu155  1  0.029002  0.094585  0.386010  1
  Cu  Cu156  1  0.657553  0.150380  0.364352  1
  Cu  Cu157  1  1.000085  0.261447  0.463579  1
  Cu  Cu158  1  0.629655  0.316944  0.442630  1
  Cu  Cu159  1  0.259366  0.372563  0.421916  1
  Cu  Cu160  1  0.259366  0.872563  0.421916  1
  Cu  Cu161  1  1.000085  0.761447  0.463579  1
  Cu  Cu162  1  0.629655  0.816944  0.442630  1
  Cu  Cu163  1  0.113894  0.592372  0.433672  1
  Cu  Cu164  1  0.743095  0.647997  0.412708  1
  Cu  Cu165  1  0.484399  0.537096  0.454452  1
  Cu  Cu166  1  0.484399  0.037096  0.454452  1
  Cu  Cu167  1  0.113894  0.092372  0.433672  1
  Cu  Cu168  1  0.743095  0.147997  0.412708  1
  Cu  Cu169  1  0.917968  0.759527  0.417492  1
  Cu  Cu170  1  0.659159  0.648725  0.459153  1
  Cu  Cu171  1  0.288792  0.704184  0.438330  1
  Cu  Cu172  1  0.288792  0.204184  0.438330  1
  Cu  Cu173  1  0.917968  0.259527  0.417492  1
  Cu  Cu174  1  0.659159  0.148725  0.459153  1
  Cu  Cu175  1  0.973943  0.425948  0.448709  1
  Cu  Cu176  1  0.603346  0.481524  0.427979  1
  Cu  Cu177  1  0.232906  0.536926  0.407045  1
  Cu  Cu178  1  0.232906  0.036926  0.407045  1
  Cu  Cu179  1  0.973943  0.925948  0.448709  1
  Cu  Cu180  1  0.603346  0.981524  0.427979  1
  Cu  Cu181  1  0.084378  0.760793  0.417290  1
  Cu  Cu182  1  0.825155  0.649754  0.458860  1
  Cu  Cu183  1  0.454930  0.705298  0.437986  1
  Cu  Cu184  1  0.454930  0.205298  0.437986  1
  Cu  Cu185  1  0.084378  0.260793  0.417290  1
  Cu  Cu186  1  0.825155  0.149754  0.458860  1
  Cu  Cu187  1  0.139949  0.427881  0.448477  1
  Cu  Cu188  1  0.769394  0.483346  0.427701  1
  Cu  Cu189  1  0.399185  0.539225  0.406645  1
  Cu  Cu190  1  0.399185  0.039225  0.406645  1
  Cu  Cu191  1  0.139949  0.927881  0.448477  1
  Cu  Cu192  1  0.769394  0.983346  0.427701  1
  Cu  Cu193  1  0.111656  0.095066  0.526111  1
  Cu  Cu194  1  0.741115  0.150463  0.505284  1
  Cu  Cu195  1  0.370686  0.206037  0.484402  1
  Cu  Cu196  1  0.370686  0.706037  0.484402  1
  Cu  Cu197  1  0.111656  0.595066  0.526111  1
  Cu  Cu198  1  0.741115  0.650463  0.505284  1
  Cu  Cu199  1  0.225344  0.425936  0.496237  1
  Cu  Cu200  1  0.854795  0.481417  0.475375  1
  Cu  Cu201  1  0.595855  0.370460  0.517132  1
  Cu  Cu202  1  0.595855  0.870460  0.517132  1
  Cu  Cu203  1  0.225344  0.925936  0.496237  1
  Cu  Cu204  1  0.854795  0.981417  0.475375  1
  Cu  Cu205  1  0.029695  0.593149  0.480049  1
  Cu  Cu206  1  0.770664  0.482092  0.521787  1
  Cu  Cu207  1  0.400278  0.537690  0.500917  1
  Cu  Cu208  1  0.400278  0.037690  0.500917  1
  Cu  Cu209  1  0.029695  0.093149  0.480049  1
  Cu  Cu210  1  0.770664  0.982092  0.521787  1
  Cu  Cu211  1  0.085511  0.259568  0.511357  1
  Cu  Cu212  1  0.715072  0.315003  0.490466  1
  Cu  Cu213  1  0.344585  0.370581  0.469618  1
  Cu  Cu214  1  0.344585  0.870581  0.469618  1
  Cu  Cu215  1  0.085511  0.759568  0.511357  1
  Cu  Cu216  1  0.715072  0.815003  0.490466  1
  Cu  Cu217  1  0.195804  0.594227  0.479720  1
  Cu  Cu218  1  0.936701  0.483226  0.521429  1
  Cu  Cu219  1  0.566269  0.538793  0.500610  1
  Cu  Cu220  1  0.566269  0.038793  0.500610  1
  Cu  Cu221  1  0.195804  0.094227  0.479720  1
  Cu  Cu222  1  0.936701  0.983226  0.521429  1
  Cu  Cu223  1  0.251438  0.261414  0.511095  1
  Cu  Cu224  1  0.880913  0.316884  0.490186  1
  Cu  Cu225  1  0.510436  0.372410  0.469342  1
  Cu  Cu226  1  0.510436  0.872410  0.469342  1
  Cu  Cu227  1  0.251438  0.761414  0.511095  1
  Cu  Cu228  1  0.880913  0.816884  0.490186  1
  Cu  Cu229  1  0.223196  0.928356  0.588827  1
  Cu  Cu230  1  0.852520  0.983821  0.567826  1
  Cu  Cu231  1  0.482112  0.039340  0.547032  1
  Cu  Cu232  1  0.482112  0.539340  0.547032  1
  Cu  Cu233  1  0.223196  0.428356  0.588827  1
  Cu  Cu234  1  0.852520  0.483821  0.567826  1
  Cu  Cu235  1  0.336637  0.259420  0.558832  1
  Cu  Cu236  1  0.966358  0.314903  0.538028  1
  Cu  Cu237  1  0.707827  0.203846  0.579876  1
  Cu  Cu238  1  0.707827  0.703846  0.579876  1
  Cu  Cu239  1  0.336637  0.759420  0.558832  1
  Cu  Cu240  1  0.966358  0.814903  0.538028  1
  Cu  Cu241  1  0.141182  0.426617  0.542710  1
  Cu  Cu242  1  0.882308  0.315446  0.584559  1
  Cu  Cu243  1  0.511564  0.371077  0.563476  1
  Cu  Cu244  1  0.511564  0.871077  0.563476  1
  Cu  Cu245  1  0.141182  0.926617  0.542710  1
  Cu  Cu246  1  0.882308  0.815446  0.584559  1
  Cu  Cu247  1  0.196916  0.093156  0.573777  1
  Cu  Cu248  1  0.826537  0.148448  0.553038  1
  Cu  Cu249  1  0.456064  0.204041  0.532161  1
  Cu  Cu250  1  0.456064  0.704041  0.532161  1
  Cu  Cu251  1  0.196916  0.593156  0.573777  1
  Cu  Cu252  1  0.826537  0.648448  0.553038  1
  Cu  Cu253  1  0.307192  0.427662  0.542341  1
  Cu  Cu254  1  0.048101  0.316682  0.584235  1
  Cu  Cu255  1  0.677857  0.372228  0.563217  1
  Cu  Cu256  1  0.677857  0.872228  0.563217  1
  Cu  Cu257  1  0.307192  0.927662  0.542341  1
  Cu  Cu258  1  0.048101  0.816682  0.584235  1
  Cu  Cu259  1  0.363042  0.094868  0.573469  1
  Cu  Cu260  1  0.992538  0.150447  0.552807  1
  Cu  Cu261  1  0.622091  0.205914  0.531940  1
  Cu  Cu262  1  0.622091  0.705914  0.531940  1
  Cu  Cu263  1  0.363042  0.594868  0.573469  1
  Cu  Cu264  1  0.992538  0.650447  0.552807  1
  Cu  Cu265  1  0.334042  0.761418  0.651577  1
  Cu  Cu266  1  0.963238  0.816138  0.631052  1
  Cu  Cu267  1  0.593558  0.872776  0.609489  1
  Cu  Cu268  1  0.593558  0.372776  0.609489  1
  Cu  Cu269  1  0.334042  0.261418  0.651577  1
  Cu  Cu270  1  0.963238  0.316138  0.631052  1
  Cu  Cu271  1  0.448032  0.092614  0.621112  1
  Cu  Cu272  1  0.077998  0.148493  0.600855  1
  Cu  Cu273  1  0.819457  0.038881  0.642662  1
  Cu  Cu274  1  0.819457  0.538881  0.642662  1
  Cu  Cu275  1  0.448032  0.592614  0.621112  1
  Cu  Cu276  1  0.077998  0.648493  0.600855  1
  Cu  Cu277  1  0.252434  0.260465  0.605399  1
  Cu  Cu278  1  0.992783  0.150211  0.647002  1
  Cu  Cu279  1  0.623544  0.204059  0.625954  1
  Cu  Cu280  1  0.623544  0.704059  0.625954  1
  Cu  Cu281  1  0.252434  0.760465  0.605399  1
  Cu  Cu282  1  0.992783  0.650211  0.647002  1
  Cu  Cu283  1  0.308733  0.926261  0.637051  1
  Cu  Cu284  1  0.937426  0.981724  0.615467  1
  Cu  Cu285  1  0.567190  0.037001  0.594809  1
  Cu  Cu286  1  0.567190  0.537001  0.594809  1
  Cu  Cu287  1  0.308733  0.426261  0.637051  1
  Cu  Cu288  1  0.937426  0.481724  0.615467  1
  Cu  Cu289  1  0.418580  0.261391  0.604835  1
  Cu  Cu290  1  0.160712  0.151506  0.647186  1
  Cu  Cu291  1  0.790365  0.205570  0.626390  1
  Cu  Cu292  1  0.790365  0.705570  0.626390  1
  Cu  Cu293  1  0.418580  0.761391  0.604835  1
  Cu  Cu294  1  0.160712  0.651506  0.647186  1
  Cu  Cu295  1  0.473410  0.927750  0.636570  1
  Cu  Cu296  1  0.103904  0.983935  0.615042  1
  Cu  Cu297  1  0.733723  0.039506  0.594581  1
  Cu  Cu298  1  0.733723  0.539506  0.594581  1
  Cu  Cu299  1  0.473410  0.427750  0.636570  1
  Cu  Cu300  1  0.103904  0.483935  0.615042  1
  Cu  Cu301  1  0.445999  0.597815  0.712437  1
  Cu  Cu302  1  0.073996  0.650440  0.692669  1
  Cu  Cu303  1  0.704770  0.704475  0.671841  1
  Cu  Cu304  1  0.704770  0.204475  0.671841  1
  Cu  Cu305  1  0.445999  0.097815  0.712437  1
  Cu  Cu306  1  0.073996  0.150440  0.692669  1
  Cu  Cu307  1  0.560308  0.927009  0.683823  1
  Cu  Cu308  1  0.189764  0.985400  0.662526  1
  Cu  Cu309  1  0.932659  0.878254  0.703920  1
  Cu  Cu310  1  0.932659  0.378254  0.703920  1
  Cu  Cu311  1  0.560308  0.427009  0.683823  1
  Cu  Cu312  1  0.189764  0.485400  0.662526  1
  Cu  Cu313  1  0.363337  0.093015  0.667300  1
  Cu  Cu314  1  0.105631  0.984095  0.707661  1
  Cu  Cu315  1  0.733776  0.033763  0.688659  1
  Cu  Cu316  1  0.733776  0.533763  0.688659  1
  Cu  Cu317  1  0.363337  0.593015  0.667300  1
  Cu  Cu318  1  0.105631  0.484095  0.707661  1
  Cu  Cu319  1  0.421745  0.758714  0.698307  1
  Cu  Cu320  1  0.050512  0.816358  0.678740  1
  Cu  Cu321  1  0.679775  0.870077  0.657291  1
  Cu  Cu322  1  0.679775  0.370077  0.657291  1
  Cu  Cu323  1  0.421745  0.258714  0.698307  1
  Cu  Cu324  1  0.050512  0.316358  0.678740  1
  Cu  Cu325  1  0.529188  0.093513  0.667029  1
  Cu  Cu326  1  0.269385  0.983591  0.707643  1
  Cu  Cu327  1  0.900592  0.037258  0.688354  1
  Cu  Cu328  1  0.900592  0.537258  0.688354  1
  Cu  Cu329  1  0.529188  0.593513  0.667029  1
  Cu  Cu330  1  0.269385  0.483591  0.707643  1
  Cu  Cu331  1  0.585944  0.760961  0.698035  1
  Cu  Cu332  1  0.213564  0.818202  0.678194  1
  Cu  Cu333  1  0.844514  0.872592  0.657183  1
  Cu  Cu334  1  0.844514  0.372592  0.657183  1
  Cu  Cu335  1  0.585944  0.260961  0.698035  1
  Cu  Cu336  1  0.213564  0.318202  0.678194  1
