# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.13917348
_cell_length_b   13.13035167
_cell_length_c   52.96883222
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al80 Cu240'
_cell_volume   8953.65630424
_cell_formula_units_Z   80
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  0.860634  0.861434  0.335227  1
  Al  Al2  1  0.360634  0.361434  0.335227  1
  Al  Al3  1  0.425872  0.926714  0.289218  1
  Al  Al4  1  0.925872  0.426714  0.289218  1
  Al  Al5  1  0.175872  0.176714  0.289218  1
  Al  Al6  1  0.675872  0.676714  0.289218  1
  Al  Al7  1  0.610634  0.111434  0.335227  1
  Al  Al8  1  0.110634  0.611434  0.335227  1
  Al  Al9  1  0.862066  0.112891  0.306617  1
  Al  Al10  1  0.362066  0.612891  0.306617  1
  Al  Al11  1  0.298328  0.049177  0.351889  1
  Al  Al12  1  0.798328  0.549177  0.351889  1
  Al  Al13  1  0.112066  0.862891  0.306617  1
  Al  Al14  1  0.612066  0.362891  0.306617  1
  Al  Al15  1  0.548328  0.799177  0.351889  1
  Al  Al16  1  0.048328  0.299177  0.351889  1
  Al  Al17  1  0.722961  0.723730  0.424098  1
  Al  Al18  1  0.222961  0.223730  0.424098  1
  Al  Al19  1  0.293353  0.794195  0.379371  1
  Al  Al20  1  0.793353  0.294195  0.379371  1
  Al  Al21  1  0.043353  0.044195  0.379371  1
  Al  Al22  1  0.543353  0.544195  0.379371  1
  Al  Al23  1  0.472961  0.973730  0.424098  1
  Al  Al24  1  0.972961  0.473730  0.424098  1
  Al  Al25  1  0.731692  0.982484  0.395938  1
  Al  Al26  1  0.231692  0.482484  0.395938  1
  Al  Al27  1  0.162278  0.913034  0.440672  1
  Al  Al28  1  0.662278  0.413034  0.440672  1
  Al  Al29  1  0.981692  0.732484  0.395938  1
  Al  Al30  1  0.481692  0.232484  0.395938  1
  Al  Al31  1  0.412278  0.663034  0.440672  1
  Al  Al32  1  0.912278  0.163034  0.440672  1
  Al  Al33  1  0.577723  0.578333  0.513226  1
  Al  Al34  1  0.077723  0.078333  0.513226  1
  Al  Al35  1  0.150525  0.651224  0.468436  1
  Al  Al36  1  0.650525  0.151224  0.468436  1
  Al  Al37  1  0.900525  0.901224  0.468436  1
  Al  Al38  1  0.400525  0.401224  0.468436  1
  Al  Al39  1  0.327723  0.828333  0.513226  1
  Al  Al40  1  0.827723  0.328333  0.513226  1
  Al  Al41  1  0.590727  0.841405  0.485508  1
  Al  Al42  1  0.090727  0.341405  0.485508  1
  Al  Al43  1  0.017925  0.768514  0.530297  1
  Al  Al44  1  0.517925  0.268514  0.530297  1
  Al  Al45  1  0.840727  0.591405  0.485508  1
  Al  Al46  1  0.340727  0.091405  0.485508  1
  Al  Al47  1  0.267925  0.518514  0.530297  1
  Al  Al48  1  0.767925  0.018514  0.530297  1
  Al  Al49  1  0.436758  0.437254  0.602796  1
  Al  Al50  1  0.936758  0.937254  0.602796  1
  Al  Al51  1  0.006173  0.506704  0.558062  1
  Al  Al52  1  0.506173  0.006704  0.558062  1
  Al  Al53  1  0.756173  0.756704  0.558062  1
  Al  Al54  1  0.256173  0.256704  0.558062  1
  Al  Al55  1  0.186758  0.687254  0.602796  1
  Al  Al56  1  0.686758  0.187254  0.602796  1
  Al  Al57  1  0.445489  0.696008  0.574635  1
  Al  Al58  1  0.945489  0.196008  0.574635  1
  Al  Al59  1  0.875098  0.625542  0.619362  1
  Al  Al60  1  0.375098  0.125542  0.619362  1
  Al  Al61  1  0.695489  0.446008  0.574635  1
  Al  Al62  1  0.195489  0.946008  0.574635  1
  Al  Al63  1  0.125098  0.375542  0.619362  1
  Al  Al64  1  0.625098  0.875542  0.619362  1
  Al  Al65  1  0.306384  0.306847  0.692116  1
  Al  Al66  1  0.806384  0.806847  0.692116  1
  Al  Al67  1  0.870123  0.370561  0.646845  1
  Al  Al68  1  0.370123  0.870561  0.646845  1
  Al  Al69  1  0.620123  0.620561  0.646845  1
  Al  Al70  1  0.120123  0.120561  0.646845  1
  Al  Al71  1  0.056384  0.556847  0.692116  1
  Al  Al72  1  0.556384  0.056847  0.692116  1
  Al  Al73  1  0.307817  0.558304  0.663507  1
  Al  Al74  1  0.807817  0.058304  0.663507  1
  Al  Al75  1  0.742578  0.493024  0.709516  1
  Al  Al76  1  0.242578  0.993024  0.709516  1
  Al  Al77  1  0.557817  0.308304  0.663507  1
  Al  Al78  1  0.057817  0.808304  0.663507  1
  Al  Al79  1  0.992578  0.243024  0.709516  1
  Al  Al80  1  0.492578  0.743024  0.709516  1
  Cu  Cu81  1  0.923762  0.924596  0.290717  1
  Cu  Cu82  1  0.423762  0.424596  0.290717  1
  Cu  Cu83  1  0.359287  0.860114  0.334501  1
  Cu  Cu84  1  0.859287  0.360114  0.334501  1
  Cu  Cu85  1  0.300590  0.301413  0.291545  1
  Cu  Cu86  1  0.800590  0.801413  0.291545  1
  Cu  Cu87  1  0.736000  0.236844  0.335311  1
  Cu  Cu88  1  0.236000  0.736844  0.335311  1
  Cu  Cu89  1  0.234379  0.235266  0.334809  1
  Cu  Cu90  1  0.734379  0.735266  0.334809  1
  Cu  Cu91  1  0.800336  0.301224  0.291682  1
  Cu  Cu92  1  0.300336  0.801224  0.291682  1
  Cu  Cu93  1  0.109287  0.110114  0.334501  1
  Cu  Cu94  1  0.609287  0.610114  0.334501  1
  Cu  Cu95  1  0.673762  0.174596  0.290717  1
  Cu  Cu96  1  0.173762  0.674596  0.290717  1
  Cu  Cu97  1  0.986000  0.986844  0.335311  1
  Cu  Cu98  1  0.486000  0.486844  0.335311  1
  Cu  Cu99  1  0.550590  0.051413  0.291545  1
  Cu  Cu100  1  0.050590  0.551413  0.291545  1
  Cu  Cu101  1  0.050336  0.051224  0.291682  1
  Cu  Cu102  1  0.550336  0.551224  0.291682  1
  Cu  Cu103  1  0.484379  0.985266  0.334809  1
  Cu  Cu104  1  0.984379  0.485266  0.334809  1
  Cu  Cu105  1  0.800570  0.051467  0.351984  1
  Cu  Cu106  1  0.300570  0.551467  0.351984  1
  Cu  Cu107  1  0.364525  0.115394  0.307909  1
  Cu  Cu108  1  0.864525  0.615394  0.307909  1
  Cu  Cu109  1  0.239046  0.989909  0.307572  1
  Cu  Cu110  1  0.739046  0.489909  0.307572  1
  Cu  Cu111  1  0.673856  0.924591  0.351409  1
  Cu  Cu112  1  0.173856  0.424591  0.351409  1
  Cu  Cu113  1  0.173129  0.923949  0.350966  1
  Cu  Cu114  1  0.673129  0.423949  0.350966  1
  Cu  Cu115  1  0.736316  0.987189  0.306830  1
  Cu  Cu116  1  0.236316  0.487189  0.306830  1
  Cu  Cu117  1  0.050570  0.801467  0.351984  1
  Cu  Cu118  1  0.550570  0.301467  0.351984  1
  Cu  Cu119  1  0.614525  0.865394  0.307909  1
  Cu  Cu120  1  0.114525  0.365394  0.307909  1
  Cu  Cu121  1  0.989046  0.239909  0.307572  1
  Cu  Cu122  1  0.489046  0.739909  0.307572  1
  Cu  Cu123  1  0.423856  0.174591  0.351409  1
  Cu  Cu124  1  0.923856  0.674591  0.351409  1
  Cu  Cu125  1  0.923129  0.173949  0.350966  1
  Cu  Cu126  1  0.423129  0.673949  0.350966  1
  Cu  Cu127  1  0.486316  0.237189  0.306830  1
  Cu  Cu128  1  0.986316  0.737189  0.306830  1
  Cu  Cu129  1  0.790811  0.791649  0.378858  1
  Cu  Cu130  1  0.290811  0.291649  0.378858  1
  Cu  Cu131  1  0.220950  0.721716  0.423346  1
  Cu  Cu132  1  0.720950  0.221716  0.423346  1
  Cu  Cu133  1  0.168272  0.169036  0.379838  1
  Cu  Cu134  1  0.668272  0.669036  0.379838  1
  Cu  Cu135  1  0.597837  0.098574  0.423953  1
  Cu  Cu136  1  0.097837  0.598574  0.423953  1
  Cu  Cu137  1  0.097444  0.098199  0.424046  1
  Cu  Cu138  1  0.597444  0.598199  0.424046  1
  Cu  Cu139  1  0.667646  0.168442  0.379485  1
  Cu  Cu140  1  0.167646  0.668442  0.379485  1
  Cu  Cu141  1  0.970950  0.971716  0.423346  1
  Cu  Cu142  1  0.470950  0.471716  0.423346  1
  Cu  Cu143  1  0.540811  0.041649  0.378858  1
  Cu  Cu144  1  0.040811  0.541649  0.378858  1
  Cu  Cu145  1  0.847837  0.848574  0.423953  1
  Cu  Cu146  1  0.347837  0.348574  0.423953  1
  Cu  Cu147  1  0.418272  0.919036  0.379838  1
  Cu  Cu148  1  0.918272  0.419036  0.379838  1
  Cu  Cu149  1  0.917646  0.918442  0.379485  1
  Cu  Cu150  1  0.417646  0.418442  0.379485  1
  Cu  Cu151  1  0.347444  0.848199  0.424046  1
  Cu  Cu152  1  0.847444  0.348199  0.424046  1
  Cu  Cu153  1  0.664501  0.915278  0.441381  1
  Cu  Cu154  1  0.164501  0.415278  0.441381  1
  Cu  Cu155  1  0.233710  0.984560  0.396756  1
  Cu  Cu156  1  0.733710  0.484560  0.396756  1
  Cu  Cu157  1  0.107422  0.858184  0.395846  1
  Cu  Cu158  1  0.607422  0.358184  0.395846  1
  Cu  Cu159  1  0.537925  0.788649  0.440754  1
  Cu  Cu160  1  0.037925  0.288649  0.440754  1
  Cu  Cu161  1  0.037398  0.788125  0.440450  1
  Cu  Cu162  1  0.537398  0.288125  0.440450  1
  Cu  Cu163  1  0.606781  0.857560  0.396039  1
  Cu  Cu164  1  0.106781  0.357560  0.396039  1
  Cu  Cu165  1  0.914501  0.665278  0.441381  1
  Cu  Cu166  1  0.414501  0.165278  0.441381  1
  Cu  Cu167  1  0.483710  0.734560  0.396756  1
  Cu  Cu168  1  0.983710  0.234560  0.396756  1
  Cu  Cu169  1  0.857422  0.108184  0.395846  1
  Cu  Cu170  1  0.357422  0.608184  0.395846  1
  Cu  Cu171  1  0.287925  0.038649  0.440754  1
  Cu  Cu172  1  0.787925  0.538649  0.440754  1
  Cu  Cu173  1  0.787398  0.038125  0.440450  1
  Cu  Cu174  1  0.287398  0.538125  0.440450  1
  Cu  Cu175  1  0.356781  0.107560  0.396039  1
  Cu  Cu176  1  0.856781  0.607560  0.396039  1
  Cu  Cu177  1  0.648739  0.649431  0.468101  1
  Cu  Cu178  1  0.148739  0.149431  0.468101  1
  Cu  Cu179  1  0.075942  0.576544  0.512790  1
  Cu  Cu180  1  0.575942  0.076544  0.512790  1
  Cu  Cu181  1  0.025578  0.026298  0.468584  1
  Cu  Cu182  1  0.525578  0.526298  0.468584  1
  Cu  Cu183  1  0.452763  0.953405  0.513440  1
  Cu  Cu184  1  0.952763  0.453405  0.513440  1
  Cu  Cu185  1  0.952167  0.952787  0.513213  1
  Cu  Cu186  1  0.452167  0.452787  0.513213  1
  Cu  Cu187  1  0.525170  0.025855  0.468738  1
  Cu  Cu188  1  0.025170  0.525855  0.468738  1
  Cu  Cu189  1  0.825942  0.826544  0.512790  1
  Cu  Cu190  1  0.325942  0.326544  0.512790  1
  Cu  Cu191  1  0.398739  0.899431  0.468101  1
  Cu  Cu192  1  0.898739  0.399431  0.468101  1
  Cu  Cu193  1  0.702763  0.703405  0.513440  1
  Cu  Cu194  1  0.202763  0.203405  0.513440  1
  Cu  Cu195  1  0.275578  0.776298  0.468584  1
  Cu  Cu196  1  0.775578  0.276298  0.468584  1
  Cu  Cu197  1  0.775170  0.775855  0.468738  1
  Cu  Cu198  1  0.275170  0.275855  0.468738  1
  Cu  Cu199  1  0.202167  0.702787  0.513213  1
  Cu  Cu200  1  0.702167  0.202787  0.513213  1
  Cu  Cu201  1  0.519711  0.770307  0.530633  1
  Cu  Cu202  1  0.019711  0.270307  0.530633  1
  Cu  Cu203  1  0.092509  0.843193  0.485944  1
  Cu  Cu204  1  0.592509  0.343193  0.485944  1
  Cu  Cu205  1  0.966283  0.716951  0.485520  1
  Cu  Cu206  1  0.466283  0.216951  0.485520  1
  Cu  Cu207  1  0.393280  0.643883  0.529996  1
  Cu  Cu208  1  0.893280  0.143883  0.529996  1
  Cu  Cu209  1  0.892873  0.643439  0.530150  1
  Cu  Cu210  1  0.392873  0.143439  0.530150  1
  Cu  Cu211  1  0.465687  0.716332  0.485294  1
  Cu  Cu212  1  0.965687  0.216332  0.485294  1
  Cu  Cu213  1  0.769711  0.520307  0.530633  1
  Cu  Cu214  1  0.269711  0.020307  0.530633  1
  Cu  Cu215  1  0.342509  0.593193  0.485944  1
  Cu  Cu216  1  0.842509  0.093193  0.485944  1
  Cu  Cu217  1  0.716283  0.966951  0.485520  1
  Cu  Cu218  1  0.216283  0.466951  0.485520  1
  Cu  Cu219  1  0.143280  0.893883  0.529996  1
  Cu  Cu220  1  0.643280  0.393883  0.529996  1
  Cu  Cu221  1  0.642873  0.893439  0.530150  1
  Cu  Cu222  1  0.142873  0.393439  0.530150  1
  Cu  Cu223  1  0.215687  0.966332  0.485294  1
  Cu  Cu224  1  0.715687  0.466332  0.485294  1
  Cu  Cu225  1  0.503949  0.504460  0.557353  1
  Cu  Cu226  1  0.003949  0.004460  0.557353  1
  Cu  Cu227  1  0.934741  0.435178  0.601978  1
  Cu  Cu228  1  0.434741  0.935178  0.601978  1
  Cu  Cu229  1  0.881052  0.881613  0.558284  1
  Cu  Cu230  1  0.381052  0.381613  0.558284  1
  Cu  Cu231  1  0.311669  0.812178  0.602694  1
  Cu  Cu232  1  0.811669  0.312178  0.602694  1
  Cu  Cu233  1  0.811029  0.811554  0.602888  1
  Cu  Cu234  1  0.311029  0.311554  0.602888  1
  Cu  Cu235  1  0.380526  0.881089  0.557980  1
  Cu  Cu236  1  0.880526  0.381089  0.557980  1
  Cu  Cu237  1  0.684741  0.685178  0.601978  1
  Cu  Cu238  1  0.184741  0.185178  0.601978  1
  Cu  Cu239  1  0.253949  0.754460  0.557353  1
  Cu  Cu240  1  0.753949  0.254460  0.557353  1
  Cu  Cu241  1  0.561669  0.562178  0.602694  1
  Cu  Cu242  1  0.061669  0.062178  0.602694  1
  Cu  Cu243  1  0.131052  0.631613  0.558284  1
  Cu  Cu244  1  0.631052  0.131613  0.558284  1
  Cu  Cu245  1  0.630526  0.631089  0.557980  1
  Cu  Cu246  1  0.130526  0.131089  0.557980  1
  Cu  Cu247  1  0.061029  0.561554  0.602888  1
  Cu  Cu248  1  0.561029  0.061554  0.602888  1
  Cu  Cu249  1  0.377640  0.628089  0.619876  1
  Cu  Cu250  1  0.877640  0.128089  0.619876  1
  Cu  Cu251  1  0.947501  0.698022  0.575387  1
  Cu  Cu252  1  0.447501  0.198022  0.575387  1
  Cu  Cu253  1  0.821006  0.571539  0.574688  1
  Cu  Cu254  1  0.321006  0.071539  0.574688  1
  Cu  Cu255  1  0.250805  0.501296  0.619249  1
  Cu  Cu256  1  0.750805  1.001296  0.619249  1
  Cu  Cu257  1  0.750178  0.500702  0.618896  1
  Cu  Cu258  1  0.250178  1.000702  0.618896  1
  Cu  Cu259  1  0.320614  0.571163  0.574781  1
  Cu  Cu260  1  0.820614  0.071163  0.574781  1
  Cu  Cu261  1  0.627640  0.378089  0.619876  1
  Cu  Cu262  1  0.127640  0.878089  0.619876  1
  Cu  Cu263  1  0.197501  0.448022  0.575387  1
  Cu  Cu264  1  0.697501  0.948022  0.575387  1
  Cu  Cu265  1  0.571006  0.821539  0.574688  1
  Cu  Cu266  1  0.071006  0.321539  0.574688  1
  Cu  Cu267  1  1.000805  0.751296  0.619249  1
  Cu  Cu268  1  0.500805  0.251296  0.619249  1
  Cu  Cu269  1  0.500178  0.750702  0.618896  1
  Cu  Cu270  1  1.000178  0.250702  0.618896  1
  Cu  Cu271  1  0.070614  0.821163  0.574781  1
  Cu  Cu272  1  0.570614  0.321163  0.574781  1
  Cu  Cu273  1  0.367880  0.368271  0.646750  1
  Cu  Cu274  1  0.867880  0.868271  0.646750  1
  Cu  Cu275  1  0.803925  0.304344  0.690825  1
  Cu  Cu276  1  0.303925  0.804344  0.690825  1
  Cu  Cu277  1  0.745321  0.745789  0.647768  1
  Cu  Cu278  1  0.245321  0.245789  0.647768  1
  Cu  Cu279  1  0.182134  0.682549  0.691904  1
  Cu  Cu280  1  0.682134  0.182549  0.691904  1
  Cu  Cu281  1  0.679405  0.679828  0.691162  1
  Cu  Cu282  1  0.179405  0.179828  0.691162  1
  Cu  Cu283  1  0.244595  0.745147  0.647324  1
  Cu  Cu284  1  0.744595  0.245147  0.647324  1
  Cu  Cu285  1  0.553925  0.554344  0.690825  1
  Cu  Cu286  1  0.053925  0.054344  0.690825  1
  Cu  Cu287  1  0.117880  0.618271  0.646750  1
  Cu  Cu288  1  0.617880  0.118271  0.646750  1
  Cu  Cu289  1  0.432134  0.432549  0.691904  1
  Cu  Cu290  1  0.932134  0.932549  0.691904  1
  Cu  Cu291  1  0.995321  0.495789  0.647768  1
  Cu  Cu292  1  0.495321  0.995789  0.647768  1
  Cu  Cu293  1  0.494595  0.495147  0.647324  1
  Cu  Cu294  1  0.994595  0.995147  0.647324  1
  Cu  Cu295  1  0.929405  0.429828  0.691162  1
  Cu  Cu296  1  0.429405  0.929828  0.691162  1
  Cu  Cu297  1  0.244689  0.495142  0.708017  1
  Cu  Cu298  1  0.744689  0.995142  0.708017  1
  Cu  Cu299  1  0.809163  0.559623  0.664233  1
  Cu  Cu300  1  0.309163  0.059623  0.664233  1
  Cu  Cu301  1  0.684071  0.434472  0.663925  1
  Cu  Cu302  1  0.184071  0.934472  0.663925  1
  Cu  Cu303  1  0.118114  0.368514  0.707052  1
  Cu  Cu304  1  0.618114  0.868514  0.707052  1
  Cu  Cu305  1  0.617861  0.368325  0.707189  1
  Cu  Cu306  1  0.117861  0.868325  0.707189  1
  Cu  Cu307  1  0.182450  0.432894  0.663423  1
  Cu  Cu308  1  0.682450  0.932894  0.663423  1
  Cu  Cu309  1  0.494689  0.245142  0.708017  1
  Cu  Cu310  1  0.994689  0.745142  0.708017  1
  Cu  Cu311  1  0.059163  0.309623  0.664233  1
  Cu  Cu312  1  0.559163  0.809623  0.664233  1
  Cu  Cu313  1  0.434071  0.684472  0.663925  1
  Cu  Cu314  1  0.934071  0.184472  0.663925  1
  Cu  Cu315  1  0.868114  0.618514  0.707052  1
  Cu  Cu316  1  0.368114  0.118514  0.707052  1
  Cu  Cu317  1  0.367861  0.618325  0.707189  1
  Cu  Cu318  1  0.867861  0.118325  0.707189  1
  Cu  Cu319  1  0.932450  0.682894  0.663423  1
  Cu  Cu320  1  0.432450  0.182894  0.663423  1
