# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.19408277
_cell_length_b   16.23658095
_cell_length_c   49.05274788
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.65588139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al42 Cu126'
_cell_volume   4853.0903569
_cell_formula_units_Z   42
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  0.304585  0.996406  0.280946  1
  Al  Al2  1  0.146246  0.320040  0.298384  1
  Al  Al3  1  0.007660  0.639689  0.320464  1
  Al  Al4  1  0.333150  0.810053  0.319724  1
  Al  Al5  1  0.181381  0.127978  0.341548  1
  Al  Al6  1  0.478836  0.486773  0.298260  1
  Al  Al7  1  0.854829  0.961661  0.342180  1
  Al  Al8  1  0.701834  0.282259  0.362026  1
  Al  Al9  1  0.552553  0.602861  0.383307  1
  Al  Al10  1  0.881793  0.769966  0.383101  1
  Al  Al11  1  0.729870  0.091088  0.403962  1
  Al  Al12  1  0.029711  0.449594  0.362092  1
  Al  Al13  1  0.402411  0.923649  0.404392  1
  Al  Al14  1  0.251137  0.244716  0.425134  1
  Al  Al15  1  0.100816  0.565078  0.445985  1
  Al  Al16  1  0.429510  0.732348  0.445547  1
  Al  Al17  1  0.278580  0.053457  0.466462  1
  Al  Al18  1  0.579053  0.411690  0.424554  1
  Al  Al19  1  0.949969  0.885953  0.466911  1
  Al  Al20  1  0.799460  0.206986  0.487767  1
  Al  Al21  1  0.648930  0.527545  0.508684  1
  Al  Al22  1  0.977262  0.694735  0.508146  1
  Al  Al23  1  0.826752  0.015769  0.529001  1
  Al  Al24  1  0.127791  0.374176  0.487229  1
  Al  Al25  1  0.498142  0.848264  0.529451  1
  Al  Al26  1  0.347212  0.169373  0.550366  1
  Al  Al27  1  0.197668  0.490031  0.571358  1
  Al  Al28  1  0.525585  0.657006  0.570779  1
  Al  Al29  1  0.374310  0.978072  0.591521  1
  Al  Al30  1  0.675906  0.336644  0.549928  1
  Al  Al31  1  0.046851  0.810633  0.591950  1
  Al  Al32  1  0.894929  0.131755  0.612811  1
  Al  Al33  1  0.747010  0.452127  0.633820  1
  Al  Al34  1  0.074888  0.619462  0.633887  1
  Al  Al35  1  0.921892  0.940061  0.653733  1
  Al  Al36  1  0.224168  0.298860  0.612605  1
  Al  Al37  1  0.595340  0.773744  0.654365  1
  Al  Al38  1  0.443571  0.091669  0.676188  1
  Al  Al39  1  0.297885  0.414949  0.697653  1
  Al  Al40  1  0.630476  0.581681  0.697528  1
  Al  Al41  1  0.472137  0.905315  0.714967  1
  Al  Al42  1  0.769061  0.262033  0.675448  1
  Cu  Cu43  1  0.922659  0.801252  0.331161  1
  Cu  Cu44  1  0.232535  0.157573  0.290312  1
  Cu  Cu45  1  0.068906  0.479400  0.309776  1
  Cu  Cu46  1  0.265509  0.968557  0.331947  1
  Cu  Cu47  1  0.567056  0.323112  0.291715  1
  Cu  Cu48  1  0.416356  0.648032  0.310521  1
  Cu  Cu49  1  0.544557  0.061015  0.315430  1
  Cu  Cu50  1  0.386432  0.381351  0.336029  1
  Cu  Cu51  1  0.691789  0.741522  0.294990  1
  Cu  Cu52  1  0.621056  0.900372  0.305348  1
  Cu  Cu53  1  0.465532  0.219756  0.325594  1
  Cu  Cu54  1  0.763579  0.582013  0.285933  1
  Cu  Cu55  1  0.942771  0.067380  0.304639  1
  Cu  Cu56  1  0.792304  0.388861  0.325449  1
  Cu  Cu57  1  0.091336  0.748629  0.285411  1
  Cu  Cu58  1  0.014548  0.907773  0.294694  1
  Cu  Cu59  1  0.869859  0.225267  0.314913  1
  Cu  Cu60  1  0.716871  0.548627  0.336092  1
  Cu  Cu61  1  0.470016  0.763540  0.393045  1
  Cu  Cu62  1  0.770119  0.122156  0.351749  1
  Cu  Cu63  1  0.618059  0.442564  0.372095  1
  Cu  Cu64  1  0.814354  0.929893  0.394375  1
  Cu  Cu65  1  0.113342  0.288710  0.351454  1
  Cu  Cu66  1  0.965086  0.609546  0.373008  1
  Cu  Cu67  1  0.089796  0.023033  0.378566  1
  Cu  Cu68  1  0.938308  0.343558  0.398735  1
  Cu  Cu69  1  0.241939  0.702440  0.356982  1
  Cu  Cu70  1  0.166937  0.861993  0.367756  1
  Cu  Cu71  1  0.013851  0.183755  0.388541  1
  Cu  Cu72  1  0.316942  0.540620  0.346499  1
  Cu  Cu73  1  0.494956  0.029345  0.367482  1
  Cu  Cu74  1  0.342335  0.349933  0.387911  1
  Cu  Cu75  1  0.645941  0.708703  0.346238  1
  Cu  Cu76  1  0.569771  0.869201  0.356979  1
  Cu  Cu77  1  0.417506  0.190548  0.377653  1
  Cu  Cu78  1  0.267692  0.510903  0.398514  1
  Cu  Cu79  1  0.017527  0.725933  0.455636  1
  Cu  Cu80  1  0.318292  0.084919  0.413985  1
  Cu  Cu81  1  0.167372  0.405317  0.434655  1
  Cu  Cu82  1  0.362084  0.892395  0.456845  1
  Cu  Cu83  1  0.662369  0.251104  0.414812  1
  Cu  Cu84  1  0.512429  0.571588  0.435841  1
  Cu  Cu85  1  0.637555  0.985425  0.440838  1
  Cu  Cu86  1  0.487185  0.306239  0.461587  1
  Cu  Cu87  1  0.788764  0.664235  0.419840  1
  Cu  Cu88  1  0.713640  0.824433  0.430377  1
  Cu  Cu89  1  0.562656  0.145682  0.451217  1
  Cu  Cu90  1  0.863570  0.503785  0.409366  1
  Cu  Cu91  1  0.042910  0.991667  0.430100  1
  Cu  Cu92  1  0.891567  0.312542  0.450695  1
  Cu  Cu93  1  0.193938  0.670733  0.408987  1
  Cu  Cu94  1  0.118440  0.831529  0.419596  1
  Cu  Cu95  1  0.966751  0.152651  0.440382  1
  Cu  Cu96  1  0.816073  0.473158  0.461214  1
  Cu  Cu97  1  0.565566  0.688323  0.518281  1
  Cu  Cu98  1  0.866542  0.047046  0.476546  1
  Cu  Cu99  1  0.716100  0.367741  0.497406  1
  Cu  Cu100  1  0.910180  0.854675  0.519366  1
  Cu  Cu101  1  0.211156  0.213399  0.477632  1
  Cu  Cu102  1  0.060622  0.533980  0.498506  1
  Cu  Cu103  1  0.185773  0.947709  0.503331  1
  Cu  Cu104  1  0.035189  0.268657  0.524249  1
  Cu  Cu105  1  0.336617  0.626769  0.482493  1
  Cu  Cu106  1  0.261545  0.786810  0.492894  1
  Cu  Cu107  1  0.110796  0.107895  0.513772  1
  Cu  Cu108  1  0.412242  0.466124  0.472022  1
  Cu  Cu109  1  0.590948  0.954013  0.492581  1
  Cu  Cu110  1  0.440104  0.274953  0.513419  1
  Cu  Cu111  1  0.741532  0.633065  0.471664  1
  Cu  Cu112  1  0.665925  0.793826  0.482141  1
  Cu  Cu113  1  0.515177  0.114911  0.503018  1
  Cu  Cu114  1  0.364479  0.435597  0.523890  1
  Cu  Cu115  1  0.114352  0.650617  0.581101  1
  Cu  Cu116  1  0.414637  0.009326  0.539068  1
  Cu  Cu117  1  0.264293  0.330134  0.560071  1
  Cu  Cu118  1  0.458430  0.816802  0.581928  1
  Cu  Cu119  1  0.759195  0.175788  0.540277  1
  Cu  Cu120  1  0.609350  0.496404  0.561257  1
  Cu  Cu121  1  0.733811  0.910054  0.565813  1
  Cu  Cu122  1  0.582783  0.230989  0.586926  1
  Cu  Cu123  1  0.885154  0.589179  0.545217  1
  Cu  Cu124  1  0.809970  0.749070  0.555531  1
  Cu  Cu125  1  0.658282  0.070193  0.576316  1
  Cu  Cu126  1  0.960649  0.428564  0.534698  1
  Cu  Cu127  1  0.139167  0.916296  0.555075  1
  Cu  Cu128  1  0.987957  0.237487  0.576073  1
  Cu  Cu129  1  0.289537  0.595482  0.534326  1
  Cu  Cu130  1  0.214065  0.756039  0.544696  1
  Cu  Cu131  1  0.063081  0.077288  0.565535  1
  Cu  Cu132  1  0.913152  0.397936  0.586546  1
  Cu  Cu133  1  0.663379  0.613011  0.644458  1
  Cu  Cu134  1  0.962367  0.971828  0.601538  1
  Cu  Cu135  1  0.811636  0.292176  0.622904  1
  Cu  Cu136  1  0.006603  0.779565  0.644163  1
  Cu  Cu137  1  0.306706  0.138182  0.602867  1
  Cu  Cu138  1  0.158662  0.459158  0.623818  1
  Cu  Cu139  1  0.281766  0.872376  0.628430  1
  Cu  Cu140  1  0.130780  0.193018  0.649675  1
  Cu  Cu141  1  0.434387  0.551788  0.608002  1
  Cu  Cu142  1  0.359216  0.711174  0.618259  1
  Cu  Cu143  1  0.206951  0.032520  0.638934  1
  Cu  Cu144  1  0.509029  0.390818  0.597398  1
  Cu  Cu145  1  0.686925  0.878689  0.617346  1
  Cu  Cu146  1  0.534782  0.199282  0.638930  1
  Cu  Cu147  1  0.838414  0.558163  0.597178  1
  Cu  Cu148  1  0.762871  0.717966  0.607372  1
  Cu  Cu149  1  0.609785  0.039729  0.628157  1
  Cu  Cu150  1  0.459780  0.361101  0.649414  1
  Cu  Cu151  1  0.209665  0.578610  0.704198  1
  Cu  Cu152  1  0.511213  0.933164  0.663965  1
  Cu  Cu153  1  0.360365  0.253690  0.685391  1
  Cu  Cu154  1  0.544186  0.744148  0.705601  1
  Cu  Cu155  1  0.854062  0.100470  0.664751  1
  Cu  Cu156  1  0.707815  0.422322  0.686137  1
  Cu  Cu157  1  0.833951  0.834341  0.691273  1
  Cu  Cu158  1  0.685386  0.153092  0.710502  1
  Cu  Cu159  1  0.984417  0.512860  0.670464  1
  Cu  Cu160  1  0.906863  0.676454  0.680999  1
  Cu  Cu161  1  0.762174  0.993949  0.701219  1
  Cu  Cu162  1  0.059851  0.353094  0.659821  1
  Cu  Cu163  1  0.232165  0.840706  0.680483  1
  Cu  Cu164  1  0.084933  0.160200  0.700922  1
  Cu  Cu165  1  0.390289  0.520371  0.659884  1
  Cu  Cu166  1  0.311189  0.681965  0.670318  1
  Cu  Cu167  1  0.155666  1.001349  0.690565  1
  Cu  Cu168  1  0.013143  0.319708  0.709979  1
