# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.89135589
_cell_length_b   11.33583516
_cell_length_c   51.70620610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   121.85485709
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al135 Cu45'
_cell_volume   5920.16183369
_cell_formula_units_Z   45
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  0.146784  0.286153  0.287763  1
  Al  Al2  1  0.813919  0.286042  0.287751  1
  Al  Al3  1  0.915080  0.155418  0.316977  1
  Al  Al4  1  0.487226  0.300411  0.287759  1
  Al  Al5  1  0.583564  0.158887  0.316832  1
  Al  Al6  1  0.687486  0.029411  0.347867  1
  Al  Al7  1  0.249839  0.158838  0.316811  1
  Al  Al8  1  0.354463  0.034101  0.349040  1
  Al  Al9  1  0.016624  0.029373  0.347831  1
  Al  Al10  1  0.283044  0.569646  0.282193  1
  Al  Al11  1  0.960790  0.569509  0.282206  1
  Al  Al12  1  0.060267  0.446173  0.311843  1
  Al  Al13  1  0.634198  0.594106  0.285411  1
  Al  Al14  1  0.729817  0.450086  0.311408  1
  Al  Al15  1  0.830914  0.320602  0.341797  1
  Al  Al16  1  0.394848  0.450399  0.311435  1
  Al  Al17  1  0.497281  0.320103  0.341675  1
  Al  Al18  1  0.164253  0.320699  0.341795  1
  Al  Al19  1  0.436726  0.871359  0.326857  1
  Al  Al20  1  0.109382  0.871357  0.326872  1
  Al  Al21  1  0.207043  0.739325  0.356467  1
  Al  Al22  1  0.767260  0.859775  0.322396  1
  Al  Al23  1  0.873390  0.738900  0.355716  1
  Al  Al24  1  0.664917  0.992466  0.293647  1
  Al  Al25  1  0.540376  0.738778  0.355646  1
  Al  Al26  1  0.338201  0.001764  0.294104  1
  Al  Al27  1  1.002034  0.992152  0.293610  1
  Al  Al28  1  0.456660  0.903372  0.380145  1
  Al  Al29  1  0.121600  0.903436  0.380161  1
  Al  Al30  1  0.224190  0.773521  0.410339  1
  Al  Al31  1  0.787938  0.901079  0.378607  1
  Al  Al32  1  0.889781  0.772939  0.410092  1
  Al  Al33  1  0.992197  0.643792  0.440293  1
  Al  Al34  1  0.558013  0.772899  0.410055  1
  Al  Al35  1  0.659017  0.643132  0.440477  1
  Al  Al36  1  0.326522  0.643803  0.440288  1
  Al  Al37  1  0.601929  0.192869  0.372315  1
  Al  Al38  1  0.265514  0.192794  0.372285  1
  Al  Al39  1  0.370165  0.065542  0.403548  1
  Al  Al40  1  0.933981  0.193273  0.372289  1
  Al  Al41  1  0.034922  0.064635  0.403078  1
  Al  Al42  1  0.138198  0.936182  0.434226  1
  Al  Al43  1  0.704460  0.064668  0.403095  1
  Al  Al44  1  0.805182  0.935612  0.433791  1
  Al  Al45  1  0.472781  0.936133  0.434213  1
  Al  Al46  1  0.744108  0.479970  0.415583  1
  Al  Al47  1  0.410917  0.480019  0.415598  1
  Al  Al48  1  0.512993  0.350846  0.445718  1
  Al  Al49  1  0.078345  0.481581  0.415666  1
  Al  Al50  1  0.180312  0.352381  0.445975  1
  Al  Al51  1  0.975146  0.609862  0.385651  1
  Al  Al52  1  0.847269  0.352387  0.445975  1
  Al  Al53  1  0.642021  0.609082  0.386048  1
  Al  Al54  1  0.309666  0.609876  0.385633  1
  Al  Al55  1  0.761187  0.514398  0.470550  1
  Al  Al56  1  0.428188  0.514411  0.470564  1
  Al  Al57  1  0.530422  0.385808  0.500809  1
  Al  Al58  1  0.095054  0.515093  0.470604  1
  Al  Al59  1  0.197396  0.386363  0.500987  1
  Al  Al60  1  0.299550  0.257529  0.531260  1
  Al  Al61  1  0.864055  0.386365  0.500988  1
  Al  Al62  1  0.966596  0.258018  0.531291  1
  Al  Al63  1  0.633124  0.257542  0.531275  1
  Al  Al64  1  0.907207  0.806759  0.464615  1
  Al  Al65  1  0.574338  0.806728  0.464600  1
  Al  Al66  1  0.676303  0.677769  0.495111  1
  Al  Al67  1  0.240644  0.806467  0.464583  1
  Al  Al68  1  0.343026  0.677562  0.495013  1
  Al  Al69  1  0.445391  0.548821  0.525489  1
  Al  Al70  1  0.009341  0.677526  0.495006  1
  Al  Al71  1  0.112172  0.549461  0.525614  1
  Al  Al72  1  0.778282  0.548767  0.525475  1
  Al  Al73  1  0.051471  0.094579  0.506829  1
  Al  Al74  1  0.718419  0.094614  0.506837  1
  Al  Al75  1  0.820364  0.965408  0.537303  1
  Al  Al76  1  0.385042  0.094782  0.506966  1
  Al  Al77  1  0.487282  0.965629  0.537364  1
  Al  Al78  1  0.282249  0.223052  0.476325  1
  Al  Al79  1  0.153663  0.965658  0.537379  1
  Al  Al80  1  0.949563  0.223866  0.476452  1
  Al  Al81  1  0.616085  0.223110  0.476342  1
  Al  Al82  1  0.068352  0.128809  0.561413  1
  Al  Al83  1  0.735672  0.128813  0.561412  1
  Al  Al84  1  0.837199  0.999158  0.591816  1
  Al  Al85  1  0.401817  0.128439  0.561617  1
  Al  Al86  1  0.504398  0.999053  0.591690  1
  Al  Al87  1  0.606727  0.870451  0.622981  1
  Al  Al88  1  0.169914  0.999088  0.591722  1
  Al  Al89  1  0.272186  0.869139  0.621708  1
  Al  Al90  1  0.939043  0.870515  0.623000  1
  Al  Al91  1  0.214658  0.420897  0.556032  1
  Al  Al92  1  0.881219  0.420893  0.556036  1
  Al  Al93  1  0.983784  0.292451  0.586185  1
  Al  Al94  1  0.547366  0.419799  0.555822  1
  Al  Al95  1  0.650173  0.291679  0.586180  1
  Al  Al96  1  0.752854  0.162976  0.615786  1
  Al  Al97  1  0.316549  0.291641  0.586164  1
  Al  Al98  1  0.418887  0.162600  0.616161  1
  Al  Al99  1  0.085293  0.162978  0.615794  1
  Al  Al100  1  0.359077  0.707548  0.598704  1
  Al  Al101  1  0.023815  0.707512  0.598689  1
  Al  Al102  1  0.128021  0.580503  0.629791  1
  Al  Al103  1  0.691782  0.708147  0.598968  1
  Al  Al104  1  0.793244  0.579450  0.629529  1
  Al  Al105  1  0.589674  0.836522  0.568065  1
  Al  Al106  1  0.461731  0.579518  0.629550  1
  Al  Al107  1  0.255670  0.836063  0.567712  1
  Al  Al108  1  0.922209  0.836562  0.568078  1
  Al  Al109  1  0.376857  0.741348  0.653654  1
  Al  Al110  1  0.039830  0.741337  0.653626  1
  Al  Al111  1  0.145200  0.614687  0.685538  1
  Al  Al112  1  0.709919  0.744375  0.654269  1
  Al  Al113  1  0.811707  0.614690  0.684785  1
  Al  Al114  1  0.909045  0.476928  0.714108  1
  Al  Al115  1  0.478468  0.614717  0.684796  1
  Al  Al116  1  0.581425  0.487417  0.713945  1
  Al  Al117  1  0.243702  0.476804  0.714094  1
  Al  Al118  1  0.521384  0.033257  0.645706  1
  Al  Al119  1  0.187184  0.033353  0.645765  1
  Al  Al120  1  0.287659  0.899955  0.674831  1
  Al  Al121  1  0.854138  0.033129  0.646037  1
  Al  Al122  1  0.961023  0.908655  0.678535  1
  Al  Al123  1  0.058784  0.776228  0.708155  1
  Al  Al124  1  0.622935  0.908597  0.678503  1
  Al  Al125  1  0.728291  0.781086  0.707776  1
  Al  Al126  1  0.393168  0.776498  0.708196  1
  Al  Al127  1  0.666192  0.324437  0.690061  1
  Al  Al128  1  0.333862  0.324187  0.690040  1
  Al  Al129  1  0.440129  0.204321  0.719720  1
  Al  Al130  1  0.999524  0.323405  0.690439  1
  Al  Al131  1  0.102026  0.186511  0.717035  1
  Al  Al132  1  0.897977  0.452843  0.660109  1
  Al  Al133  1  0.760364  0.186686  0.717040  1
  Al  Al134  1  0.563759  0.451929  0.659892  1
  Al  Al135  1  0.230487  0.452772  0.660101  1
  Cu  Cu136  1  0.299196  0.594197  0.333941  1
  Cu  Cu137  1  0.969415  0.594099  0.333954  1
  Cu  Cu138  1  0.070174  0.465670  0.363737  1
  Cu  Cu139  1  0.633045  0.591210  0.335047  1
  Cu  Cu140  1  0.415548  0.836808  0.277845  1
  Cu  Cu141  1  0.519665  0.719916  0.304980  1
  Cu  Cu142  1  0.095292  0.836603  0.277859  1
  Cu  Cu143  1  0.197626  0.720999  0.305347  1
  Cu  Cu144  1  0.874485  0.719604  0.305069  1
  Cu  Cu145  1  0.609141  0.207821  0.424356  1
  Cu  Cu146  1  0.273651  0.207827  0.424331  1
  Cu  Cu147  1  0.377067  0.079021  0.455253  1
  Cu  Cu148  1  0.941990  0.208972  0.424471  1
  Cu  Cu149  1  0.736812  0.465277  0.363536  1
  Cu  Cu150  1  0.839939  0.337206  0.393923  1
  Cu  Cu151  1  0.403193  0.465263  0.363559  1
  Cu  Cu152  1  0.505393  0.336037  0.393606  1
  Cu  Cu153  1  0.172173  0.337209  0.393921  1
  Cu  Cu154  1  0.915022  0.821610  0.516311  1
  Cu  Cu155  1  0.581679  0.821636  0.516299  1
  Cu  Cu156  1  0.683882  0.692622  0.546963  1
  Cu  Cu157  1  0.248421  0.821825  0.516153  1
  Cu  Cu158  1  0.043320  0.079705  0.455024  1
  Cu  Cu159  1  0.146084  0.950453  0.485793  1
  Cu  Cu160  1  0.711399  0.079712  0.455037  1
  Cu  Cu161  1  0.812905  0.950797  0.485598  1
  Cu  Cu162  1  0.479463  0.950481  0.485780  1
  Cu  Cu163  1  0.222352  0.436024  0.608109  1
  Cu  Cu164  1  0.888994  0.436015  0.608113  1
  Cu  Cu165  1  0.991319  0.307251  0.638222  1
  Cu  Cu166  1  0.555210  0.435211  0.607826  1
  Cu  Cu167  1  0.351267  0.693031  0.546827  1
  Cu  Cu168  1  0.453622  0.564037  0.577475  1
  Cu  Cu169  1  0.016812  0.693025  0.546817  1
  Cu  Cu170  1  0.119976  0.564762  0.577673  1
  Cu  Cu171  1  0.785561  0.564032  0.577456  1
  Cu  Cu172  1  0.522887  0.052962  0.696393  1
  Cu  Cu173  1  0.205741  0.052717  0.696472  1
  Cu  Cu174  1  0.305636  0.935250  0.723861  1
  Cu  Cu175  1  0.865298  0.055124  0.696289  1
  Cu  Cu176  1  0.658179  0.307100  0.638110  1
  Cu  Cu177  1  0.760821  0.180526  0.666918  1
  Cu  Cu178  1  0.324361  0.307115  0.638089  1
  Cu  Cu179  1  0.427082  0.178459  0.667726  1
  Cu  Cu180  1  0.095102  0.180498  0.666917  1
