# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69845911
_cell_length_b   21.53540050
_cell_length_c   54.69970584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al60 Cu180'
_cell_volume   6712.67127955
_cell_formula_units_Z   60
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  0.016816  0.817542  0.274064  1
  Al  Al2  1  0.016816  0.439967  0.313402  1
  Al  Al3  1  0.016816  0.063924  0.349176  1
  Al  Al4  1  0.516816  0.563924  0.349176  1
  Al  Al5  1  0.516816  0.317542  0.274064  1
  Al  Al6  1  0.516816  0.939967  0.313402  1
  Al  Al7  1  0.516816  0.752377  0.330875  1
  Al  Al8  1  0.516816  0.521709  0.273361  1
  Al  Al9  1  0.516816  0.129344  0.290605  1
  Al  Al10  1  0.016816  0.629344  0.290605  1
  Al  Al11  1  0.016816  0.252377  0.330875  1
  Al  Al12  1  0.016816  0.021709  0.273361  1
  Al  Al13  1  0.016816  0.674221  0.370000  1
  Al  Al14  1  0.016816  0.294572  0.407837  1
  Al  Al15  1  0.016816  0.905290  0.428816  1
  Al  Al16  1  0.516816  0.405290  0.428816  1
  Al  Al17  1  0.516816  0.174221  0.370000  1
  Al  Al18  1  0.516816  0.794572  0.407837  1
  Al  Al19  1  0.516816  0.604686  0.426273  1
  Al  Al20  1  0.516816  0.364571  0.352564  1
  Al  Al21  1  0.516816  0.985465  0.389952  1
  Al  Al22  1  0.016816  0.485465  0.389952  1
  Al  Al23  1  0.016816  0.104686  0.426273  1
  Al  Al24  1  0.016816  0.864571  0.352564  1
  Al  Al25  1  0.016816  0.524693  0.466226  1
  Al  Al26  1  0.016816  0.143860  0.502737  1
  Al  Al27  1  0.016816  0.754463  0.523869  1
  Al  Al28  1  0.516816  0.254463  0.523869  1
  Al  Al29  1  0.516816  0.024693  0.466226  1
  Al  Al30  1  0.516816  0.643860  0.502737  1
  Al  Al31  1  0.516816  0.445071  0.505878  1
  Al  Al32  1  0.516816  0.214949  0.446713  1
  Al  Al33  1  0.516816  0.834241  0.484355  1
  Al  Al34  1  0.016816  0.334241  0.484355  1
  Al  Al35  1  0.016816  0.945071  0.505878  1
  Al  Al36  1  0.016816  0.714949  0.446713  1
  Al  Al37  1  0.016816  0.374099  0.561343  1
  Al  Al38  1  0.016816  0.984795  0.582221  1
  Al  Al39  1  0.016816  0.604881  0.619427  1
  Al  Al40  1  0.516816  0.104881  0.619427  1
  Al  Al41  1  0.516816  0.874099  0.561343  1
  Al  Al42  1  0.516816  0.484795  0.582221  1
  Al  Al43  1  0.516816  0.294504  0.600112  1
  Al  Al44  1  0.516816  0.064938  0.543084  1
  Al  Al45  1  0.516816  0.684238  0.580159  1
  Al  Al46  1  0.016816  0.184238  0.580159  1
  Al  Al47  1  0.016816  0.794504  0.600112  1
  Al  Al48  1  0.016816  0.564938  0.543084  1
  Al  Al49  1  0.016816  0.225889  0.656608  1
  Al  Al50  1  0.016816  0.838986  0.676981  1
  Al  Al51  1  0.016816  0.460411  0.715758  1
  Al  Al52  1  0.516816  0.960411  0.715758  1
  Al  Al53  1  0.516816  0.725889  0.656608  1
  Al  Al54  1  0.516816  0.338986  0.676981  1
  Al  Al55  1  0.516816  0.150111  0.697343  1
  Al  Al56  1  0.516816  0.915472  0.637403  1
  Al  Al57  1  0.516816  0.527256  0.659174  1
  Al  Al58  1  0.016816  0.027256  0.659174  1
  Al  Al59  1  0.016816  0.650111  0.697343  1
  Al  Al60  1  0.016816  0.415472  0.637403  1
  Cu  Cu61  1  0.016816  0.751609  0.330470  1
  Cu  Cu62  1  0.016816  0.515538  0.273767  1
  Cu  Cu63  1  0.016816  0.130371  0.294584  1
  Cu  Cu64  1  0.266741  0.464149  0.351592  1
  Cu  Cu65  1  0.264125  0.229746  0.292782  1
  Cu  Cu66  1  0.256019  0.842090  0.313750  1
  Cu  Cu67  1  0.261921  0.540953  0.311553  1
  Cu  Cu68  1  0.274899  0.152328  0.330879  1
  Cu  Cu69  1  0.259527  0.919387  0.275616  1
  Cu  Cu70  1  0.516816  0.630371  0.294584  1
  Cu  Cu71  1  0.516816  0.251609  0.330470  1
  Cu  Cu72  1  0.516816  0.015538  0.273767  1
  Cu  Cu73  1  0.764125  0.729746  0.292782  1
  Cu  Cu74  1  0.756019  0.342090  0.313750  1
  Cu  Cu75  1  0.766741  0.964149  0.351592  1
  Cu  Cu76  1  0.774899  0.652328  0.330879  1
  Cu  Cu77  1  0.759527  0.419387  0.275616  1
  Cu  Cu78  1  0.761921  0.040953  0.311553  1
  Cu  Cu79  1  0.516816  0.822038  0.278010  1
  Cu  Cu80  1  0.516816  0.443926  0.313436  1
  Cu  Cu81  1  0.516816  0.062146  0.349355  1
  Cu  Cu82  1  0.771710  0.540953  0.311553  1
  Cu  Cu83  1  0.758732  0.152328  0.330879  1
  Cu  Cu84  1  0.774104  0.919387  0.275616  1
  Cu  Cu85  1  0.766890  0.464149  0.351592  1
  Cu  Cu86  1  0.769506  0.229746  0.292782  1
  Cu  Cu87  1  0.777612  0.842090  0.313750  1
  Cu  Cu88  1  0.016816  0.562146  0.349355  1
  Cu  Cu89  1  0.016816  0.322038  0.278010  1
  Cu  Cu90  1  0.016816  0.943926  0.313436  1
  Cu  Cu91  1  0.258732  0.652328  0.330879  1
  Cu  Cu92  1  0.274104  0.419387  0.275616  1
  Cu  Cu93  1  0.271710  0.040953  0.311553  1
  Cu  Cu94  1  0.269506  0.729746  0.292782  1
  Cu  Cu95  1  0.277612  0.342090  0.313750  1
  Cu  Cu96  1  0.266890  0.964149  0.351592  1
  Cu  Cu97  1  0.016816  0.603283  0.425351  1
  Cu  Cu98  1  0.016816  0.364432  0.352547  1
  Cu  Cu99  1  0.016816  0.984857  0.389588  1
  Cu  Cu100  1  0.268284  0.314763  0.446058  1
  Cu  Cu101  1  0.264431  0.084236  0.387754  1
  Cu  Cu102  1  0.268672  0.694749  0.408350  1
  Cu  Cu103  1  0.264265  0.385427  0.390604  1
  Cu  Cu104  1  0.264211  0.005137  0.428057  1
  Cu  Cu105  1  0.267023  0.774015  0.369341  1
  Cu  Cu106  1  0.516816  0.484857  0.389588  1
  Cu  Cu107  1  0.516816  0.103283  0.425351  1
  Cu  Cu108  1  0.516816  0.864432  0.352547  1
  Cu  Cu109  1  0.764431  0.584236  0.387754  1
  Cu  Cu110  1  0.768672  0.194749  0.408350  1
  Cu  Cu111  1  0.768284  0.814763  0.446058  1
  Cu  Cu112  1  0.764211  0.505137  0.428057  1
  Cu  Cu113  1  0.767023  0.274015  0.369341  1
  Cu  Cu114  1  0.764265  0.885427  0.390604  1
  Cu  Cu115  1  0.516816  0.675052  0.370106  1
  Cu  Cu116  1  0.516816  0.293791  0.406947  1
  Cu  Cu117  1  0.516816  0.906464  0.429754  1
  Cu  Cu118  1  0.769366  0.385427  0.390604  1
  Cu  Cu119  1  0.769420  0.005137  0.428057  1
  Cu  Cu120  1  0.766609  0.774015  0.369341  1
  Cu  Cu121  1  0.765348  0.314763  0.446058  1
  Cu  Cu122  1  0.769200  0.084236  0.387754  1
  Cu  Cu123  1  0.764959  0.694749  0.408350  1
  Cu  Cu124  1  0.016816  0.406464  0.429754  1
  Cu  Cu125  1  0.016816  0.175052  0.370106  1
  Cu  Cu126  1  0.016816  0.793791  0.406947  1
  Cu  Cu127  1  0.269420  0.505137  0.428057  1
  Cu  Cu128  1  0.266609  0.274015  0.369341  1
  Cu  Cu129  1  0.269366  0.885427  0.390604  1
  Cu  Cu130  1  0.269200  0.584236  0.387754  1
  Cu  Cu131  1  0.264959  0.194749  0.408350  1
  Cu  Cu132  1  0.265348  0.814763  0.446058  1
  Cu  Cu133  1  0.016816  0.445781  0.506226  1
  Cu  Cu134  1  0.016816  0.215946  0.447663  1
  Cu  Cu135  1  0.016816  0.833505  0.483928  1
  Cu  Cu136  1  0.264697  0.163839  0.541354  1
  Cu  Cu137  1  0.265474  0.925400  0.467401  1
  Cu  Cu138  1  0.266729  0.544575  0.504634  1
  Cu  Cu139  1  0.267413  0.234513  0.485385  1
  Cu  Cu140  1  0.267295  0.854204  0.522776  1
  Cu  Cu141  1  0.264852  0.624248  0.464454  1
  Cu  Cu142  1  0.516816  0.333505  0.483928  1
  Cu  Cu143  1  0.516816  0.945781  0.506226  1
  Cu  Cu144  1  0.516816  0.715946  0.447663  1
  Cu  Cu145  1  0.765474  0.425400  0.467401  1
  Cu  Cu146  1  0.766729  0.044575  0.504634  1
  Cu  Cu147  1  0.764697  0.663839  0.541354  1
  Cu  Cu148  1  0.767295  0.354204  0.522776  1
  Cu  Cu149  1  0.764852  0.124248  0.464454  1
  Cu  Cu150  1  0.767413  0.734513  0.485385  1
  Cu  Cu151  1  0.516816  0.525329  0.466409  1
  Cu  Cu152  1  0.516816  0.143040  0.502446  1
  Cu  Cu153  1  0.516816  0.755345  0.524230  1
  Cu  Cu154  1  0.766219  0.234513  0.485385  1
  Cu  Cu155  1  0.766337  0.854204  0.522776  1
  Cu  Cu156  1  0.768779  0.624248  0.464454  1
  Cu  Cu157  1  0.768935  0.163839  0.541354  1
  Cu  Cu158  1  0.768157  0.925400  0.467401  1
  Cu  Cu159  1  0.766902  0.544575  0.504634  1
  Cu  Cu160  1  0.016816  0.255345  0.524230  1
  Cu  Cu161  1  0.016816  0.025329  0.466409  1
  Cu  Cu162  1  0.016816  0.643040  0.502446  1
  Cu  Cu163  1  0.266337  0.354204  0.522776  1
  Cu  Cu164  1  0.268779  0.124248  0.464454  1
  Cu  Cu165  1  0.266219  0.734513  0.485385  1
  Cu  Cu166  1  0.268157  0.425400  0.467401  1
  Cu  Cu167  1  0.266902  0.044575  0.504634  1
  Cu  Cu168  1  0.268935  0.663839  0.541354  1
  Cu  Cu169  1  0.016816  0.295680  0.601257  1
  Cu  Cu170  1  0.016816  0.064263  0.542800  1
  Cu  Cu171  1  0.016816  0.682759  0.579050  1
  Cu  Cu172  1  0.264746  0.006035  0.620713  1
  Cu  Cu173  1  0.269018  0.774200  0.562100  1
  Cu  Cu174  1  0.269619  0.394467  0.599499  1
  Cu  Cu175  1  0.263786  0.084547  0.581312  1
  Cu  Cu176  1  0.263447  0.704688  0.618485  1
  Cu  Cu177  1  0.264843  0.465033  0.544090  1
  Cu  Cu178  1  0.516816  0.182759  0.579050  1
  Cu  Cu179  1  0.516816  0.795680  0.601257  1
  Cu  Cu180  1  0.516816  0.564263  0.542800  1
  Cu  Cu181  1  0.769018  0.274200  0.562100  1
  Cu  Cu182  1  0.769619  0.894467  0.599499  1
  Cu  Cu183  1  0.764746  0.506035  0.620713  1
  Cu  Cu184  1  0.763447  0.204688  0.618485  1
  Cu  Cu185  1  0.764843  0.965033  0.544090  1
  Cu  Cu186  1  0.763786  0.584547  0.581312  1
  Cu  Cu187  1  0.516816  0.373129  0.560372  1
  Cu  Cu188  1  0.516816  0.985946  0.583186  1
  Cu  Cu189  1  0.516816  0.606039  0.619989  1
  Cu  Cu190  1  0.769846  0.084547  0.581312  1
  Cu  Cu191  1  0.770184  0.704688  0.618485  1
  Cu  Cu192  1  0.768788  0.465033  0.544090  1
  Cu  Cu193  1  0.768886  0.006035  0.620713  1
  Cu  Cu194  1  0.764613  0.774200  0.562100  1
  Cu  Cu195  1  0.764013  0.394467  0.599499  1
  Cu  Cu196  1  0.016816  0.106039  0.619989  1
  Cu  Cu197  1  0.016816  0.873129  0.560372  1
  Cu  Cu198  1  0.016816  0.485946  0.583186  1
  Cu  Cu199  1  0.270184  0.204688  0.618485  1
  Cu  Cu200  1  0.268788  0.965033  0.544090  1
  Cu  Cu201  1  0.269846  0.584547  0.581312  1
  Cu  Cu202  1  0.264613  0.274200  0.562100  1
  Cu  Cu203  1  0.264013  0.894467  0.599499  1
  Cu  Cu204  1  0.268886  0.506035  0.620713  1
  Cu  Cu205  1  0.016816  0.148099  0.695242  1
  Cu  Cu206  1  0.016816  0.915237  0.637551  1
  Cu  Cu207  1  0.016816  0.528200  0.659517  1
  Cu  Cu208  1  0.276651  0.858813  0.714457  1
  Cu  Cu209  1  0.261968  0.626842  0.658179  1
  Cu  Cu210  1  0.259586  0.249830  0.695495  1
  Cu  Cu211  1  0.275211  0.937806  0.676242  1
  Cu  Cu212  1  0.269025  0.549119  0.697284  1
  Cu  Cu213  1  0.269373  0.315630  0.638578  1
  Cu  Cu214  1  0.516816  0.028200  0.659517  1
  Cu  Cu215  1  0.516816  0.648099  0.695242  1
  Cu  Cu216  1  0.516816  0.415237  0.637551  1
  Cu  Cu217  1  0.761968  0.126842  0.658179  1
  Cu  Cu218  1  0.759586  0.749830  0.695495  1
  Cu  Cu219  1  0.776651  0.358813  0.714457  1
  Cu  Cu220  1  0.769025  0.049119  0.697284  1
  Cu  Cu221  1  0.769373  0.815630  0.638578  1
  Cu  Cu222  1  0.775211  0.437806  0.676242  1
  Cu  Cu223  1  0.516816  0.225949  0.656916  1
  Cu  Cu224  1  0.516816  0.838509  0.676489  1
  Cu  Cu225  1  0.516816  0.456052  0.712182  1
  Cu  Cu226  1  0.758420  0.937806  0.676242  1
  Cu  Cu227  1  0.764606  0.549119  0.697284  1
  Cu  Cu228  1  0.764258  0.315630  0.638578  1
  Cu  Cu229  1  0.756980  0.858813  0.714457  1
  Cu  Cu230  1  0.771663  0.626842  0.658179  1
  Cu  Cu231  1  0.774046  0.249830  0.695495  1
  Cu  Cu232  1  0.016816  0.956052  0.712182  1
  Cu  Cu233  1  0.016816  0.725949  0.656916  1
  Cu  Cu234  1  0.016816  0.338509  0.676489  1
  Cu  Cu235  1  0.264606  0.049119  0.697284  1
  Cu  Cu236  1  0.264258  0.815630  0.638578  1
  Cu  Cu237  1  0.258420  0.437806  0.676242  1
  Cu  Cu238  1  0.271663  0.126842  0.658179  1
  Cu  Cu239  1  0.274046  0.749830  0.695495  1
  Cu  Cu240  1  0.256980  0.358813  0.714457  1
