# generated using pymatgen
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.17825371
_cell_length_b   16.06368959
_cell_length_c   47.63117361
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.53075972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu2
_chemical_formula_sum   'Al189 Cu126'
_cell_volume   11420.0410334
_cell_formula_units_Z   63
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  0.497803  0.500312  0.281944  1
  Al  Al2  1  0.645921  0.130102  0.344444  1
  Al  Al3  1  0.769398  0.488020  0.302778  1
  Al  Al4  1  0.164470  0.833645  0.281944  1
  Al  Al5  1  0.102731  0.154686  0.302778  1
  Al  Al6  1  0.040993  0.475728  0.323611  1
  Al  Al7  1  0.436065  0.821353  0.302778  1
  Al  Al8  1  0.374326  0.142394  0.323611  1
  Al  Al9  1  0.707659  0.809061  0.323611  1
  Al  Al10  1  0.577223  0.687329  0.330132  1
  Al  Al11  1  0.910556  0.353996  0.330132  1
  Al  Al12  1  0.034034  0.711914  0.288466  1
  Al  Al13  1  0.243890  0.020663  0.330132  1
  Al  Al14  1  0.367367  0.378580  0.288466  1
  Al  Al15  1  0.305628  0.699622  0.309299  1
  Al  Al16  1  0.700700  0.045247  0.288466  1
  Al  Al17  1  0.638962  0.366288  0.309299  1
  Al  Al18  1  0.972295  0.032955  0.309299  1
  Al  Al19  1  0.443023  0.585167  0.337923  1
  Al  Al20  1  0.776357  0.251833  0.337923  1
  Al  Al21  1  0.899834  0.609751  0.296257  1
  Al  Al22  1  0.109690  0.918500  0.337923  1
  Al  Al23  1  0.233167  0.276418  0.296257  1
  Al  Al24  1  0.171429  0.597459  0.317090  1
  Al  Al25  1  0.566501  0.943085  0.296257  1
  Al  Al26  1  0.504762  0.264126  0.317090  1
  Al  Al27  1  0.838095  0.930792  0.317090  1
  Al  Al28  1  0.312587  0.463435  0.344444  1
  Al  Al29  1  0.460705  0.093225  0.406944  1
  Al  Al30  1  0.584182  0.451143  0.365278  1
  Al  Al31  1  0.979254  0.796769  0.344444  1
  Al  Al32  1  0.917515  0.117810  0.365278  1
  Al  Al33  1  0.855777  0.438851  0.386111  1
  Al  Al34  1  0.250849  0.784476  0.365278  1
  Al  Al35  1  0.189110  0.105518  0.386111  1
  Al  Al36  1  0.522443  0.772184  0.386111  1
  Al  Al37  1  0.392007  0.650453  0.392632  1
  Al  Al38  1  0.725340  0.317119  0.392632  1
  Al  Al39  1  0.848818  0.675037  0.350966  1
  Al  Al40  1  0.058674  0.983786  0.392632  1
  Al  Al41  1  0.182151  0.341704  0.350966  1
  Al  Al42  1  0.120412  0.662745  0.371799  1
  Al  Al43  1  0.515484  0.008370  0.350966  1
  Al  Al44  1  0.453746  0.329412  0.371799  1
  Al  Al45  1  0.787079  0.996078  0.371799  1
  Al  Al46  1  0.257807  0.548290  0.400423  1
  Al  Al47  1  0.591141  0.214957  0.400423  1
  Al  Al48  1  0.714618  0.572875  0.358757  1
  Al  Al49  1  0.924474  0.881623  0.400423  1
  Al  Al50  1  0.047951  0.239541  0.358757  1
  Al  Al51  1  0.986213  0.560582  0.379590  1
  Al  Al52  1  0.381285  0.906208  0.358757  1
  Al  Al53  1  0.319546  0.227249  0.379590  1
  Al  Al54  1  0.652879  0.893916  0.379590  1
  Al  Al55  1  0.127371  0.426559  0.406944  1
  Al  Al56  1  0.275489  0.056349  0.469444  1
  Al  Al57  1  0.398966  0.414266  0.427778  1
  Al  Al58  1  0.794038  0.759892  0.406944  1
  Al  Al59  1  0.732299  0.080933  0.427778  1
  Al  Al60  1  0.670561  0.401974  0.448611  1
  Al  Al61  1  0.065633  0.747600  0.427778  1
  Al  Al62  1  0.003894  0.068641  0.448611  1
  Al  Al63  1  0.337227  0.735308  0.448611  1
  Al  Al64  1  0.206791  0.613576  0.455132  1
  Al  Al65  1  0.540124  0.280243  0.455132  1
  Al  Al66  1  0.663602  0.638160  0.413466  1
  Al  Al67  1  0.873458  0.946909  0.455132  1
  Al  Al68  1  0.996935  0.304827  0.413466  1
  Al  Al69  1  0.935196  0.625868  0.434299  1
  Al  Al70  1  0.330268  0.971494  0.413466  1
  Al  Al71  1  0.268530  0.292535  0.434299  1
  Al  Al72  1  0.601863  0.959202  0.434299  1
  Al  Al73  1  0.072591  0.511413  0.462923  1
  Al  Al74  1  0.405925  0.178080  0.462923  1
  Al  Al75  1  0.529402  0.535998  0.421257  1
  Al  Al76  1  0.739258  0.844747  0.462923  1
  Al  Al77  1  0.862735  0.202665  0.421257  1
  Al  Al78  1  0.800997  0.523706  0.442090  1
  Al  Al79  1  0.196069  0.869331  0.421257  1
  Al  Al80  1  0.134330  0.190372  0.442090  1
  Al  Al81  1  0.467663  0.857039  0.442090  1
  Al  Al82  1  0.942155  0.389682  0.469444  1
  Al  Al83  1  0.090272  0.019472  0.531944  1
  Al  Al84  1  0.213750  0.377390  0.490278  1
  Al  Al85  1  0.608822  0.723015  0.469444  1
  Al  Al86  1  0.547083  0.044056  0.490278  1
  Al  Al87  1  0.485344  0.365098  0.511111  1
  Al  Al88  1  0.880416  0.710723  0.490278  1
  Al  Al89  1  0.818678  0.031764  0.511111  1
  Al  Al90  1  0.152011  0.698431  0.511111  1
  Al  Al91  1  0.021575  0.576699  0.517632  1
  Al  Al92  1  0.354908  0.243366  0.517632  1
  Al  Al93  1  0.478386  0.601284  0.475966  1
  Al  Al94  1  0.688242  0.910033  0.517632  1
  Al  Al95  1  0.811719  0.267951  0.475966  1
  Al  Al96  1  0.749980  0.588992  0.496799  1
  Al  Al97  1  0.145052  0.934617  0.475966  1
  Al  Al98  1  0.083314  0.255658  0.496799  1
  Al  Al99  1  0.416647  0.922325  0.496799  1
  Al  Al100  1  0.887375  0.474537  0.525423  1
  Al  Al101  1  0.220709  0.141203  0.525423  1
  Al  Al102  1  0.344186  0.499121  0.483757  1
  Al  Al103  1  0.554042  0.807870  0.525423  1
  Al  Al104  1  0.677519  0.165788  0.483757  1
  Al  Al105  1  0.615781  0.486829  0.504590  1
  Al  Al106  1  0.010853  0.832455  0.483757  1
  Al  Al107  1  0.949114  0.153496  0.504590  1
  Al  Al108  1  0.282447  0.820162  0.504590  1
  Al  Al109  1  0.756939  0.352805  0.531944  1
  Al  Al110  1  0.905056  0.982595  0.594444  1
  Al  Al111  1  0.028534  0.340513  0.552778  1
  Al  Al112  1  0.423606  0.686139  0.531944  1
  Al  Al113  1  0.361867  0.007180  0.552778  1
  Al  Al114  1  0.300128  0.328221  0.573611  1
  Al  Al115  1  0.695200  0.673846  0.552778  1
  Al  Al116  1  0.633462  0.994888  0.573611  1
  Al  Al117  1  0.966795  0.661554  0.573611  1
  Al  Al118  1  0.836359  0.539823  0.580132  1
  Al  Al119  1  0.169692  0.206489  0.580132  1
  Al  Al120  1  0.293170  0.564407  0.538466  1
  Al  Al121  1  0.503026  0.873156  0.580132  1
  Al  Al122  1  0.626503  0.231074  0.538466  1
  Al  Al123  1  0.564764  0.552115  0.559299  1
  Al  Al124  1  0.959836  0.897741  0.538466  1
  Al  Al125  1  0.898098  0.218782  0.559299  1
  Al  Al126  1  0.231431  0.885448  0.559299  1
  Al  Al127  1  0.702159  0.437660  0.587923  1
  Al  Al128  1  0.035493  0.104327  0.587923  1
  Al  Al129  1  0.158970  0.462245  0.546257  1
  Al  Al130  1  0.368826  0.770993  0.587923  1
  Al  Al131  1  0.492303  0.128911  0.546257  1
  Al  Al132  1  0.430565  0.449952  0.567090  1
  Al  Al133  1  0.825637  0.795578  0.546257  1
  Al  Al134  1  0.763898  0.116619  0.567090  1
  Al  Al135  1  0.097231  0.783286  0.567090  1
  Al  Al136  1  0.571723  0.315929  0.594444  1
  Al  Al137  1  0.719840  0.945719  0.656944  1
  Al  Al138  1  0.843318  0.303636  0.615278  1
  Al  Al139  1  0.238390  0.649262  0.594444  1
  Al  Al140  1  0.176651  0.970303  0.615278  1
  Al  Al141  1  0.114912  0.291344  0.636111  1
  Al  Al142  1  0.509984  0.636970  0.615278  1
  Al  Al143  1  0.448246  0.958011  0.636111  1
  Al  Al144  1  0.781579  0.624678  0.636111  1
  Al  Al145  1  0.651143  0.502946  0.642632  1
  Al  Al146  1  0.984476  0.169613  0.642632  1
  Al  Al147  1  0.107954  0.527531  0.600966  1
  Al  Al148  1  0.317810  0.836279  0.642632  1
  Al  Al149  1  0.441287  0.194197  0.600966  1
  Al  Al150  1  0.379548  0.515238  0.621799  1
  Al  Al151  1  0.774620  0.860864  0.600966  1
  Al  Al152  1  0.712882  0.181905  0.621799  1
  Al  Al153  1  0.046215  0.848572  0.621799  1
  Al  Al154  1  0.516943  0.400784  0.650423  1
  Al  Al155  1  0.850277  0.067450  0.650423  1
  Al  Al156  1  0.973754  0.425368  0.608757  1
  Al  Al157  1  0.183610  0.734117  0.650423  1
  Al  Al158  1  0.307087  0.092035  0.608757  1
  Al  Al159  1  0.245349  0.413076  0.629590  1
  Al  Al160  1  0.640421  0.758701  0.608757  1
  Al  Al161  1  0.578682  0.079742  0.629590  1
  Al  Al162  1  0.912015  0.746409  0.629590  1
  Al  Al163  1  0.386507  0.279052  0.656944  1
  Al  Al164  1  0.534624  0.908842  0.719444  1
  Al  Al165  1  0.658102  0.266760  0.677778  1
  Al  Al166  1  0.053174  0.612385  0.656944  1
  Al  Al167  1  0.991435  0.933426  0.677778  1
  Al  Al168  1  0.929696  0.254468  0.698611  1
  Al  Al169  1  0.324768  0.600093  0.677778  1
  Al  Al170  1  0.263030  0.921134  0.698611  1
  Al  Al171  1  0.596363  0.587801  0.698611  1
  Al  Al172  1  0.465927  0.466069  0.705132  1
  Al  Al173  1  0.799260  0.132736  0.705132  1
  Al  Al174  1  0.922738  0.490654  0.663466  1
  Al  Al175  1  0.132593  0.799403  0.705132  1
  Al  Al176  1  0.256071  0.157321  0.663466  1
  Al  Al177  1  0.194332  0.478362  0.684299  1
  Al  Al178  1  0.589404  0.823987  0.663466  1
  Al  Al179  1  0.527665  0.145028  0.684299  1
  Al  Al180  1  0.860999  0.811695  0.684299  1
  Al  Al181  1  0.331727  0.363907  0.712923  1
  Al  Al182  1  0.665061  0.030574  0.712923  1
  Al  Al183  1  0.788538  0.388491  0.671257  1
  Al  Al184  1  0.998394  0.697240  0.712923  1
  Al  Al185  1  0.121871  0.055158  0.671257  1
  Al  Al186  1  0.060133  0.376199  0.692090  1
  Al  Al187  1  0.455205  0.721825  0.671257  1
  Al  Al188  1  0.393466  0.042866  0.692090  1
  Al  Al189  1  0.726799  0.709532  0.692090  1
  Cu  Cu190  1  0.607927  0.527667  0.319771  1
  Cu  Cu191  1  0.941261  0.194333  0.319771  1
  Cu  Cu192  1  0.879522  0.515374  0.340605  1
  Cu  Cu193  1  0.274594  0.861000  0.319771  1
  Cu  Cu194  1  0.212855  0.182041  0.340605  1
  Cu  Cu195  1  0.336333  0.539959  0.298938  1
  Cu  Cu196  1  0.546189  0.848708  0.340605  1
  Cu  Cu197  1  0.669666  0.206626  0.298938  1
  Cu  Cu198  1  0.002999  0.873292  0.298938  1
  Cu  Cu199  1  0.597535  0.781706  0.285784  1
  Cu  Cu200  1  0.930868  0.448373  0.285784  1
  Cu  Cu201  1  0.869130  0.769414  0.306618  1
  Cu  Cu202  1  0.264202  0.115039  0.285784  1
  Cu  Cu203  1  0.202463  0.436081  0.306618  1
  Cu  Cu204  1  0.140724  0.757122  0.327451  1
  Cu  Cu205  1  0.535796  0.102747  0.306618  1
  Cu  Cu206  1  0.474058  0.423788  0.327451  1
  Cu  Cu207  1  0.807391  0.090455  0.327451  1
  Cu  Cu208  1  0.422711  0.490790  0.382271  1
  Cu  Cu209  1  0.756045  0.157457  0.382271  1
  Cu  Cu210  1  0.694306  0.478498  0.403105  1
  Cu  Cu211  1  0.089378  0.824123  0.382271  1
  Cu  Cu212  1  0.027639  0.145164  0.403105  1
  Cu  Cu213  1  0.151117  0.503082  0.361438  1
  Cu  Cu214  1  0.360973  0.811831  0.403105  1
  Cu  Cu215  1  0.484450  0.169749  0.361438  1
  Cu  Cu216  1  0.817783  0.836416  0.361438  1
  Cu  Cu217  1  0.412319  0.744829  0.348284  1
  Cu  Cu218  1  0.745652  0.411496  0.348284  1
  Cu  Cu219  1  0.683914  0.732537  0.369118  1
  Cu  Cu220  1  0.078986  0.078163  0.348284  1
  Cu  Cu221  1  0.017247  0.399204  0.369118  1
  Cu  Cu222  1  0.955508  0.720245  0.389951  1
  Cu  Cu223  1  0.350580  0.065871  0.369118  1
  Cu  Cu224  1  0.288842  0.386912  0.389951  1
  Cu  Cu225  1  0.622175  0.053578  0.389951  1
  Cu  Cu226  1  0.237495  0.453913  0.444771  1
  Cu  Cu227  1  0.570829  0.120580  0.444771  1
  Cu  Cu228  1  0.509090  0.441621  0.465605  1
  Cu  Cu229  1  0.904162  0.787247  0.444771  1
  Cu  Cu230  1  0.842423  0.108288  0.465605  1
  Cu  Cu231  1  0.965901  0.466206  0.423938  1
  Cu  Cu232  1  0.175757  0.774954  0.465605  1
  Cu  Cu233  1  0.299234  0.132872  0.423938  1
  Cu  Cu234  1  0.632567  0.799539  0.423938  1
  Cu  Cu235  1  0.227103  0.707953  0.410784  1
  Cu  Cu236  1  0.560436  0.374619  0.410784  1
  Cu  Cu237  1  0.498698  0.695661  0.431618  1
  Cu  Cu238  1  0.893770  0.041286  0.410784  1
  Cu  Cu239  1  0.832031  0.362327  0.431618  1
  Cu  Cu240  1  0.770292  0.683368  0.452451  1
  Cu  Cu241  1  0.165364  0.028994  0.431618  1
  Cu  Cu242  1  0.103626  0.350035  0.452451  1
  Cu  Cu243  1  0.436959  0.016702  0.452451  1
  Cu  Cu244  1  0.052279  0.417037  0.507271  1
  Cu  Cu245  1  0.385613  0.083703  0.507271  1
  Cu  Cu246  1  0.323874  0.404745  0.528105  1
  Cu  Cu247  1  0.718946  0.750370  0.507271  1
  Cu  Cu248  1  0.657207  0.071411  0.528105  1
  Cu  Cu249  1  0.780685  0.429329  0.486438  1
  Cu  Cu250  1  0.990541  0.738078  0.528105  1
  Cu  Cu251  1  0.114018  0.095996  0.486438  1
  Cu  Cu252  1  0.447351  0.762662  0.486438  1
  Cu  Cu253  1  0.041887  0.671076  0.473284  1
  Cu  Cu254  1  0.375220  0.337743  0.473284  1
  Cu  Cu255  1  0.313482  0.658784  0.494118  1
  Cu  Cu256  1  0.708554  0.004409  0.473284  1
  Cu  Cu257  1  0.646815  0.325451  0.494118  1
  Cu  Cu258  1  0.585076  0.646492  0.514951  1
  Cu  Cu259  1  0.980148  0.992117  0.494118  1
  Cu  Cu260  1  0.918410  0.313158  0.514951  1
  Cu  Cu261  1  0.251743  0.979825  0.514951  1
  Cu  Cu262  1  0.867063  0.380160  0.569771  1
  Cu  Cu263  1  0.200397  0.046827  0.569771  1
  Cu  Cu264  1  0.138658  0.367868  0.590605  1
  Cu  Cu265  1  0.533730  0.713493  0.569771  1
  Cu  Cu266  1  0.471991  0.034535  0.590605  1
  Cu  Cu267  1  0.595469  0.392452  0.548938  1
  Cu  Cu268  1  0.805325  0.701201  0.590605  1
  Cu  Cu269  1  0.928802  0.059119  0.548938  1
  Cu  Cu270  1  0.262135  0.725786  0.548938  1
  Cu  Cu271  1  0.856671  0.634199  0.535784  1
  Cu  Cu272  1  0.190004  0.300866  0.535784  1
  Cu  Cu273  1  0.128266  0.621907  0.556618  1
  Cu  Cu274  1  0.523338  0.967533  0.535784  1
  Cu  Cu275  1  0.461599  0.288574  0.556618  1
  Cu  Cu276  1  0.399860  0.609615  0.577451  1
  Cu  Cu277  1  0.794932  0.955241  0.556618  1
  Cu  Cu278  1  0.733194  0.276282  0.577451  1
  Cu  Cu279  1  0.066527  0.942948  0.577451  1
  Cu  Cu280  1  0.681847  0.343283  0.632271  1
  Cu  Cu281  1  0.015181  0.009950  0.632271  1
  Cu  Cu282  1  0.953442  0.330991  0.653105  1
  Cu  Cu283  1  0.348514  0.676617  0.632271  1
  Cu  Cu284  1  0.286775  0.997658  0.653105  1
  Cu  Cu285  1  0.410253  0.355576  0.611438  1
  Cu  Cu286  1  0.620109  0.664325  0.653105  1
  Cu  Cu287  1  0.743586  0.022242  0.611438  1
  Cu  Cu288  1  0.076919  0.688909  0.611438  1
  Cu  Cu289  1  0.671455  0.597323  0.598284  1
  Cu  Cu290  1  0.004788  0.263990  0.598284  1
  Cu  Cu291  1  0.943050  0.585031  0.619118  1
  Cu  Cu292  1  0.338122  0.930656  0.598284  1
  Cu  Cu293  1  0.276383  0.251697  0.619118  1
  Cu  Cu294  1  0.214644  0.572738  0.639951  1
  Cu  Cu295  1  0.609716  0.918364  0.619118  1
  Cu  Cu296  1  0.547978  0.239405  0.639951  1
  Cu  Cu297  1  0.881311  0.906072  0.639951  1
  Cu  Cu298  1  0.496631  0.306407  0.694771  1
  Cu  Cu299  1  0.829965  0.973073  0.694771  1
  Cu  Cu300  1  0.768226  0.294115  0.715605  1
  Cu  Cu301  1  0.163298  0.639740  0.694771  1
  Cu  Cu302  1  0.101559  0.960781  0.715605  1
  Cu  Cu303  1  0.225037  0.318699  0.673938  1
  Cu  Cu304  1  0.434893  0.627448  0.715605  1
  Cu  Cu305  1  0.558370  0.985366  0.673938  1
  Cu  Cu306  1  0.891703  0.652032  0.673938  1
  Cu  Cu307  1  0.486239  0.560446  0.660784  1
  Cu  Cu308  1  0.819572  0.227113  0.660784  1
  Cu  Cu309  1  0.757834  0.548154  0.681618  1
  Cu  Cu310  1  0.152906  0.893780  0.660784  1
  Cu  Cu311  1  0.091167  0.214821  0.681618  1
  Cu  Cu312  1  0.029428  0.535862  0.702451  1
  Cu  Cu313  1  0.424500  0.881487  0.681618  1
  Cu  Cu314  1  0.362762  0.202528  0.702451  1
  Cu  Cu315  1  0.696095  0.869195  0.702451  1
