# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.96404520
_cell_length_b   13.45796837
_cell_length_c   47.89558836
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.39350698
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al84 Cu252'
_cell_volume   9693.437758
_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  0.295724  0.935400  0.311584  1
  Al  Al2  1  0.662997  0.991359  0.292288  1
  Al  Al3  1  0.934051  0.881099  0.335013  1
  Al  Al4  1  0.295724  0.435400  0.311584  1
  Al  Al5  1  0.662997  0.491359  0.292288  1
  Al  Al6  1  0.934051  0.381099  0.335013  1
  Al  Al7  1  0.386796  0.650986  0.328244  1
  Al  Al8  1  0.752148  0.703200  0.303982  1
  Al  Al9  1  0.118433  0.761387  0.285573  1
  Al  Al10  1  0.386796  0.150986  0.328244  1
  Al  Al11  1  0.752148  0.203200  0.303982  1
  Al  Al12  1  0.118433  0.261387  0.285573  1
  Al  Al13  1  0.203141  0.774482  0.375967  1
  Al  Al14  1  0.567334  0.829369  0.355071  1
  Al  Al15  1  0.837399  0.720867  0.396584  1
  Al  Al16  1  0.203141  0.274482  0.375967  1
  Al  Al17  1  0.567334  0.329369  0.355071  1
  Al  Al18  1  0.837399  0.220867  0.396584  1
  Al  Al19  1  0.290752  0.490854  0.389869  1
  Al  Al20  1  0.656541  0.543694  0.368763  1
  Al  Al21  1  0.020873  0.598614  0.348303  1
  Al  Al22  1  0.290752  0.990854  0.389869  1
  Al  Al23  1  0.656541  0.043694  0.368763  1
  Al  Al24  1  0.020873  0.098614  0.348303  1
  Al  Al25  1  0.107263  0.613691  0.438591  1
  Al  Al26  1  0.472828  0.667661  0.417709  1
  Al  Al27  1  0.742113  0.559737  0.459301  1
  Al  Al28  1  0.107263  0.113691  0.438591  1
  Al  Al29  1  0.472828  0.167661  0.417709  1
  Al  Al30  1  0.742113  0.059737  0.459301  1
  Al  Al31  1  0.195298  0.329337  0.452375  1
  Al  Al32  1  0.560610  0.382815  0.431339  1
  Al  Al33  1  0.925466  0.436572  0.410514  1
  Al  Al34  1  0.195298  0.829337  0.452375  1
  Al  Al35  1  0.560610  0.882815  0.431339  1
  Al  Al36  1  0.925466  0.936572  0.410514  1
  Al  Al37  1  0.011569  0.452421  0.501189  1
  Al  Al38  1  0.377118  0.506208  0.480346  1
  Al  Al39  1  0.646730  0.398518  0.522026  1
  Al  Al40  1  0.011569  0.952421  0.501189  1
  Al  Al41  1  0.377118  0.006208  0.480346  1
  Al  Al42  1  0.646730  0.898518  0.522026  1
  Al  Al43  1  0.099596  0.167797  0.514925  1
  Al  Al44  1  0.465145  0.221585  0.494083  1
  Al  Al45  1  0.829984  0.275487  0.473245  1
  Al  Al46  1  0.099596  0.667797  0.514925  1
  Al  Al47  1  0.465145  0.721585  0.494083  1
  Al  Al48  1  0.829984  0.775487  0.473245  1
  Al  Al49  1  0.916104  0.291191  0.563933  1
  Al  Al50  1  0.281417  0.344668  0.542897  1
  Al  Al51  1  0.551248  0.237433  0.584757  1
  Al  Al52  1  0.916104  0.791191  0.563933  1
  Al  Al53  1  0.281417  0.844668  0.542897  1
  Al  Al54  1  0.551248  0.737433  0.584757  1
  Al  Al55  1  0.003886  0.006345  0.577563  1
  Al  Al56  1  0.369451  0.060315  0.556680  1
  Al  Al57  1  0.734601  0.114269  0.535971  1
  Al  Al58  1  0.003886  0.506345  0.577563  1
  Al  Al59  1  0.369451  0.560315  0.556680  1
  Al  Al60  1  0.734601  0.614269  0.535971  1
  Al  Al61  1  0.820173  0.130311  0.626508  1
  Al  Al62  1  0.185962  0.183152  0.605403  1
  Al  Al63  1  0.455842  0.075392  0.646969  1
  Al  Al64  1  0.820173  0.630311  0.626508  1
  Al  Al65  1  0.185962  0.683152  0.605403  1
  Al  Al66  1  0.455842  0.575392  0.646969  1
  Al  Al67  1  0.909380  0.844637  0.640201  1
  Al  Al68  1  0.273573  0.899524  0.619304  1
  Al  Al69  1  0.639315  0.953139  0.598687  1
  Al  Al70  1  0.909380  0.344637  0.640201  1
  Al  Al71  1  0.273573  0.399524  0.619304  1
  Al  Al72  1  0.639315  0.453139  0.598687  1
  Al  Al73  1  0.724567  0.970806  0.691289  1
  Al  Al74  1  0.089919  0.023020  0.667027  1
  Al  Al75  1  0.358281  0.912618  0.709699  1
  Al  Al76  1  0.724567  0.470806  0.691289  1
  Al  Al77  1  0.089919  0.523020  0.667027  1
  Al  Al78  1  0.358281  0.412618  0.709699  1
  Al  Al79  1  0.813717  0.682647  0.702983  1
  Al  Al80  1  0.180991  0.738606  0.683688  1
  Al  Al81  1  0.542663  0.792906  0.660259  1
  Al  Al82  1  0.813717  0.182647  0.702983  1
  Al  Al83  1  0.180991  0.238606  0.683688  1
  Al  Al84  1  0.542663  0.292906  0.660259  1
  Cu  Cu85  1  0.345746  0.761555  0.283250  1
  Cu  Cu86  1  0.613355  0.660556  0.323463  1
  Cu  Cu87  1  0.978191  0.712537  0.302343  1
  Cu  Cu88  1  0.345746  0.261555  0.283250  1
  Cu  Cu89  1  0.613355  0.160556  0.323463  1
  Cu  Cu90  1  0.978191  0.212537  0.302343  1
  Cu  Cu91  1  0.438383  0.982020  0.296684  1
  Cu  Cu92  1  0.707127  0.872682  0.337422  1
  Cu  Cu93  1  0.072873  0.929114  0.316843  1
  Cu  Cu94  1  0.438383  0.482020  0.296684  1
  Cu  Cu95  1  0.707127  0.372682  0.337422  1
  Cu  Cu96  1  0.072873  0.429114  0.316843  1
  Cu  Cu97  1  0.503634  0.130820  0.288802  1
  Cu  Cu98  1  0.774541  0.021299  0.328689  1
  Cu  Cu99  1  0.136648  0.077526  0.307930  1
  Cu  Cu100  1  0.503634  0.630820  0.288802  1
  Cu  Cu101  1  0.774541  0.521299  0.328689  1
  Cu  Cu102  1  0.136648  0.577526  0.307930  1
  Cu  Cu103  1  0.456549  0.799342  0.318233  1
  Cu  Cu104  1  0.822252  0.852969  0.298347  1
  Cu  Cu105  1  0.092102  0.744417  0.339032  1
  Cu  Cu106  1  0.456549  0.299342  0.318233  1
  Cu  Cu107  1  0.822252  0.352969  0.298347  1
  Cu  Cu108  1  0.092102  0.244417  0.339032  1
  Cu  Cu109  1  0.276613  0.120921  0.291521  1
  Cu  Cu110  1  0.546474  0.012645  0.332492  1
  Cu  Cu111  1  0.911229  0.066644  0.311496  1
  Cu  Cu112  1  0.276613  0.620921  0.291521  1
  Cu  Cu113  1  0.546474  0.512645  0.332492  1
  Cu  Cu114  1  0.911229  0.566644  0.311496  1
  Cu  Cu115  1  0.227277  0.789935  0.322310  1
  Cu  Cu116  1  0.592425  0.844636  0.301455  1
  Cu  Cu117  1  0.958247  0.898313  0.282857  1
  Cu  Cu118  1  0.227277  0.289935  0.322310  1
  Cu  Cu119  1  0.592425  0.344636  0.301455  1
  Cu  Cu120  1  0.958247  0.398313  0.282857  1
  Cu  Cu121  1  0.246485  0.605381  0.343962  1
  Cu  Cu122  1  0.515952  0.499815  0.385718  1
  Cu  Cu123  1  0.881593  0.552798  0.364943  1
  Cu  Cu124  1  0.246485  0.105381  0.343962  1
  Cu  Cu125  1  0.515952  0.999815  0.385718  1
  Cu  Cu126  1  0.881593  0.052798  0.364943  1
  Cu  Cu127  1  0.341696  0.821202  0.358619  1
  Cu  Cu128  1  0.612389  0.712113  0.400478  1
  Cu  Cu129  1  0.977252  0.765619  0.380052  1
  Cu  Cu130  1  0.341696  0.321202  0.358619  1
  Cu  Cu131  1  0.612389  0.212113  0.400478  1
  Cu  Cu132  1  0.977252  0.265619  0.380052  1
  Cu  Cu133  1  0.407389  0.967170  0.349492  1
  Cu  Cu134  1  0.678486  0.859702  0.391339  1
  Cu  Cu135  1  0.044563  0.913717  0.370751  1
  Cu  Cu136  1  0.407389  0.467170  0.349492  1
  Cu  Cu137  1  0.678486  0.359702  0.391339  1
  Cu  Cu138  1  0.044563  0.413717  0.370751  1
  Cu  Cu139  1  0.361285  0.636868  0.381436  1
  Cu  Cu140  1  0.726790  0.690423  0.359327  1
  Cu  Cu141  1  0.996277  0.582530  0.402113  1
  Cu  Cu142  1  0.361285  0.136868  0.381436  1
  Cu  Cu143  1  0.726790  0.190423  0.359327  1
  Cu  Cu144  1  0.996277  0.082530  0.402113  1
  Cu  Cu145  1  0.180600  0.959406  0.353134  1
  Cu  Cu146  1  0.449637  0.851872  0.394895  1
  Cu  Cu147  1  0.814604  0.904807  0.373886  1
  Cu  Cu148  1  0.180600  0.459406  0.353134  1
  Cu  Cu149  1  0.449637  0.351872  0.394895  1
  Cu  Cu150  1  0.814604  0.404807  0.373886  1
  Cu  Cu151  1  0.132220  0.629019  0.384605  1
  Cu  Cu152  1  0.497647  0.683321  0.363775  1
  Cu  Cu153  1  0.861429  0.735633  0.342460  1
  Cu  Cu154  1  0.132220  0.129019  0.384605  1
  Cu  Cu155  1  0.497647  0.183321  0.363775  1
  Cu  Cu156  1  0.861429  0.235633  0.342460  1
  Cu  Cu157  1  0.151631  0.445559  0.406753  1
  Cu  Cu158  1  0.421160  0.338177  0.448493  1
  Cu  Cu159  1  0.786125  0.391613  0.427452  1
  Cu  Cu160  1  0.151631  0.945559  0.406753  1
  Cu  Cu161  1  0.421160  0.838177  0.448493  1
  Cu  Cu162  1  0.786125  0.891613  0.427452  1
  Cu  Cu163  1  0.246629  0.658673  0.421696  1
  Cu  Cu164  1  0.516638  0.550903  0.463285  1
  Cu  Cu165  1  0.881368  0.604790  0.442384  1
  Cu  Cu166  1  0.246629  0.158673  0.421696  1
  Cu  Cu167  1  0.516638  0.050903  0.463285  1
  Cu  Cu168  1  0.881368  0.104790  0.442384  1
  Cu  Cu169  1  0.313457  0.806530  0.412474  1
  Cu  Cu170  1  0.583293  0.698777  0.454175  1
  Cu  Cu171  1  0.947991  0.752517  0.433372  1
  Cu  Cu172  1  0.313457  0.306530  0.412474  1
  Cu  Cu173  1  0.583293  0.198777  0.454175  1
  Cu  Cu174  1  0.947991  0.252517  0.433372  1
  Cu  Cu175  1  0.266005  0.475371  0.443798  1
  Cu  Cu176  1  0.631199  0.528858  0.422702  1
  Cu  Cu177  1  0.900720  0.421500  0.464556  1
  Cu  Cu178  1  0.266005  0.975371  0.443798  1
  Cu  Cu179  1  0.631199  0.028858  0.422702  1
  Cu  Cu180  1  0.900720  0.921500  0.464556  1
  Cu  Cu181  1  0.084734  0.797997  0.415859  1
  Cu  Cu182  1  0.354515  0.690375  0.457543  1
  Cu  Cu183  1  0.719647  0.743999  0.436597  1
  Cu  Cu184  1  0.084734  0.297997  0.415859  1
  Cu  Cu185  1  0.354515  0.190375  0.457543  1
  Cu  Cu186  1  0.719647  0.243999  0.436597  1
  Cu  Cu187  1  0.036534  0.467481  0.447199  1
  Cu  Cu188  1  0.401982  0.521418  0.426427  1
  Cu  Cu189  1  0.766957  0.575123  0.405231  1
  Cu  Cu190  1  0.036534  0.967481  0.447199  1
  Cu  Cu191  1  0.401982  0.021418  0.426427  1
  Cu  Cu192  1  0.766957  0.075123  0.405231  1
  Cu  Cu193  1  0.055745  0.284326  0.469361  1
  Cu  Cu194  1  0.325614  0.176795  0.511089  1
  Cu  Cu195  1  0.690767  0.230382  0.490208  1
  Cu  Cu196  1  0.055745  0.784326  0.469361  1
  Cu  Cu197  1  0.325614  0.676795  0.511089  1
  Cu  Cu198  1  0.690767  0.730382  0.490208  1
  Cu  Cu199  1  0.151100  0.497211  0.484183  1
  Cu  Cu200  1  0.420969  0.389679  0.525911  1
  Cu  Cu201  1  0.785947  0.443623  0.505064  1
  Cu  Cu202  1  0.151100  0.997211  0.484183  1
  Cu  Cu203  1  0.420969  0.889679  0.525911  1
  Cu  Cu204  1  0.785947  0.943623  0.505064  1
  Cu  Cu205  1  0.217881  0.645093  0.475150  1
  Cu  Cu206  1  0.487721  0.537505  0.516858  1
  Cu  Cu207  1  0.852507  0.591303  0.495977  1
  Cu  Cu208  1  0.217881  0.145093  0.475150  1
  Cu  Cu209  1  0.487721  0.037505  0.516858  1
  Cu  Cu210  1  0.852507  0.091303  0.495977  1
  Cu  Cu211  1  0.170345  0.314018  0.506328  1
  Cu  Cu212  1  0.535756  0.367731  0.485422  1
  Cu  Cu213  1  0.805239  0.260298  0.527267  1
  Cu  Cu214  1  0.170345  0.814018  0.506328  1
  Cu  Cu215  1  0.535756  0.867731  0.485422  1
  Cu  Cu216  1  0.805239  0.760298  0.527267  1
  Cu  Cu217  1  0.988993  0.636501  0.478413  1
  Cu  Cu218  1  0.258833  0.528913  0.520122  1
  Cu  Cu219  1  0.624207  0.582703  0.499295  1
  Cu  Cu220  1  0.988993  0.136501  0.478413  1
  Cu  Cu221  1  0.258833  0.028913  0.520122  1
  Cu  Cu222  1  0.624207  0.082703  0.499295  1
  Cu  Cu223  1  0.940958  0.306275  0.509850  1
  Cu  Cu224  1  0.306369  0.359988  0.488944  1
  Cu  Cu225  1  0.671475  0.413708  0.468005  1
  Cu  Cu226  1  0.940958  0.806275  0.509850  1
  Cu  Cu227  1  0.306369  0.859988  0.488944  1
  Cu  Cu228  1  0.671475  0.913708  0.468005  1
  Cu  Cu229  1  0.960076  0.123102  0.531986  1
  Cu  Cu230  1  0.230085  0.015333  0.573576  1
  Cu  Cu231  1  0.595347  0.069216  0.552887  1
  Cu  Cu232  1  0.960076  0.623102  0.531986  1
  Cu  Cu233  1  0.230085  0.515333  0.573576  1
  Cu  Cu234  1  0.595347  0.569216  0.552887  1
  Cu  Cu235  1  0.055554  0.335829  0.546779  1
  Cu  Cu236  1  0.325083  0.228447  0.588519  1
  Cu  Cu237  1  0.690589  0.282392  0.567820  1
  Cu  Cu238  1  0.055554  0.835829  0.546779  1
  Cu  Cu239  1  0.325083  0.728447  0.588519  1
  Cu  Cu240  1  0.690589  0.782392  0.567820  1
  Cu  Cu241  1  0.122199  0.483631  0.537728  1
  Cu  Cu242  1  0.391980  0.376009  0.579413  1
  Cu  Cu243  1  0.757067  0.430006  0.558675  1
  Cu  Cu244  1  0.122199  0.983631  0.537728  1
  Cu  Cu245  1  0.391980  0.876009  0.579413  1
  Cu  Cu246  1  0.757067  0.930006  0.558675  1
  Cu  Cu247  1  0.074732  0.152588  0.568845  1
  Cu  Cu248  1  0.440180  0.206524  0.548072  1
  Cu  Cu249  1  0.709757  0.098883  0.590041  1
  Cu  Cu250  1  0.074732  0.652588  0.568845  1
  Cu  Cu251  1  0.440180  0.706524  0.548072  1
  Cu  Cu252  1  0.709757  0.598883  0.590041  1
  Cu  Cu253  1  0.893422  0.475228  0.541097  1
  Cu  Cu254  1  0.163257  0.367476  0.582798  1
  Cu  Cu255  1  0.528723  0.421488  0.561899  1
  Cu  Cu256  1  0.893422  0.975228  0.541097  1
  Cu  Cu257  1  0.163257  0.867476  0.582798  1
  Cu  Cu258  1  0.528723  0.921488  0.561899  1
  Cu  Cu259  1  0.845515  0.145147  0.572570  1
  Cu  Cu260  1  0.210709  0.198634  0.551474  1
  Cu  Cu261  1  0.575995  0.252505  0.530716  1
  Cu  Cu262  1  0.845515  0.645147  0.572570  1
  Cu  Cu263  1  0.210709  0.698634  0.551474  1
  Cu  Cu264  1  0.575995  0.752505  0.530716  1
  Cu  Cu265  1  0.864325  0.961893  0.594794  1
  Cu  Cu266  1  0.135018  0.852804  0.636652  1
  Cu  Cu267  1  0.499462  0.908386  0.615220  1
  Cu  Cu268  1  0.864325  0.461893  0.594794  1
  Cu  Cu269  1  0.135018  0.352804  0.636652  1
  Cu  Cu270  1  0.499462  0.408386  0.615220  1
  Cu  Cu271  1  0.960762  0.174191  0.609553  1
  Cu  Cu272  1  0.230229  0.068625  0.651309  1
  Cu  Cu273  1  0.595121  0.121207  0.630329  1
  Cu  Cu274  1  0.960762  0.674191  0.609553  1
  Cu  Cu275  1  0.230229  0.568625  0.651309  1
  Cu  Cu276  1  0.595121  0.621207  0.630329  1
  Cu  Cu277  1  0.027077  0.322133  0.600376  1
  Cu  Cu278  1  0.296114  0.214600  0.642138  1
  Cu  Cu279  1  0.662111  0.269198  0.621385  1
  Cu  Cu280  1  0.027077  0.822133  0.600376  1
  Cu  Cu281  1  0.296114  0.714600  0.642138  1
  Cu  Cu282  1  0.662111  0.769198  0.621385  1
  Cu  Cu283  1  0.979068  0.990685  0.631496  1
  Cu  Cu284  1  0.344494  0.044987  0.610667  1
  Cu  Cu285  1  0.615285  0.938372  0.652811  1
  Cu  Cu286  1  0.979068  0.490685  0.631496  1
  Cu  Cu287  1  0.344494  0.544987  0.610667  1
  Cu  Cu288  1  0.615285  0.438372  0.652811  1
  Cu  Cu289  1  0.798229  0.314304  0.603932  1
  Cu  Cu290  1  0.069325  0.206835  0.645780  1
  Cu  Cu291  1  0.432151  0.260288  0.624521  1
  Cu  Cu292  1  0.798229  0.814304  0.603932  1
  Cu  Cu293  1  0.069325  0.706835  0.645780  1
  Cu  Cu294  1  0.432151  0.760288  0.624521  1
  Cu  Cu295  1  0.749924  0.983582  0.635945  1
  Cu  Cu296  1  0.115429  0.037138  0.613836  1
  Cu  Cu297  1  0.480437  0.091476  0.593159  1
  Cu  Cu298  1  0.749924  0.483582  0.635945  1
  Cu  Cu299  1  0.115429  0.537138  0.613836  1
  Cu  Cu300  1  0.480437  0.591476  0.593159  1
  Cu  Cu301  1  0.769587  0.801324  0.657850  1
  Cu  Cu302  1  0.038332  0.691985  0.698588  1
  Cu  Cu303  1  0.403841  0.744892  0.678429  1
  Cu  Cu304  1  0.769587  0.301324  0.657850  1
  Cu  Cu305  1  0.038332  0.191985  0.698588  1
  Cu  Cu306  1  0.403841  0.244892  0.678429  1
  Cu  Cu307  1  0.863359  0.013449  0.671808  1
  Cu  Cu308  1  0.130969  0.912451  0.712022  1
  Cu  Cu309  1  0.498523  0.961469  0.692928  1
  Cu  Cu310  1  0.863359  0.513449  0.671808  1
  Cu  Cu311  1  0.130969  0.412451  0.712022  1
  Cu  Cu312  1  0.498523  0.461469  0.692928  1
  Cu  Cu313  1  0.930240  0.161361  0.662780  1
  Cu  Cu314  1  0.200101  0.053085  0.703751  1
  Cu  Cu315  1  0.565485  0.107362  0.683776  1
  Cu  Cu316  1  0.930240  0.661361  0.662780  1
  Cu  Cu317  1  0.200101  0.553085  0.703751  1
  Cu  Cu318  1  0.565485  0.607362  0.683776  1
  Cu  Cu319  1  0.884289  0.829370  0.693817  1
  Cu  Cu320  1  0.249437  0.884071  0.672961  1
  Cu  Cu321  1  0.518467  0.775693  0.712415  1
  Cu  Cu322  1  0.884289  0.329370  0.693817  1
  Cu  Cu323  1  0.249437  0.384071  0.672961  1
  Cu  Cu324  1  0.518467  0.275693  0.712415  1
  Cu  Cu325  1  0.702173  0.152706  0.666583  1
  Cu  Cu326  1  0.973080  0.043186  0.706469  1
  Cu  Cu327  1  0.340066  0.096479  0.687342  1
  Cu  Cu328  1  0.702173  0.652706  0.666583  1
  Cu  Cu329  1  0.973080  0.543186  0.706469  1
  Cu  Cu330  1  0.340066  0.596479  0.687342  1
  Cu  Cu331  1  0.654462  0.821037  0.696925  1
  Cu  Cu332  1  0.020165  0.874663  0.677038  1
  Cu  Cu333  1  0.384612  0.929589  0.656240  1
  Cu  Cu334  1  0.654462  0.321037  0.696925  1
  Cu  Cu335  1  0.020165  0.374663  0.677038  1
  Cu  Cu336  1  0.384612  0.429589  0.656240  1
