# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.40350243
_cell_length_b   9.98107858
_cell_length_c   48.37637637
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   54.27128554
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al40 Cu120'
_cell_volume   4861.82547359
_cell_formula_units_Z   40
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  0.929410  0.657712  0.311702  1
  Al  Al2  1  0.429410  0.657712  0.311702  1
  Al  Al3  1  0.833366  0.365247  0.355340  1
  Al  Al4  1  0.333366  0.365247  0.355340  1
  Al  Al5  1  0.013758  0.917541  0.348695  1
  Al  Al6  1  0.513758  0.917541  0.348695  1
  Al  Al7  1  0.111862  0.212112  0.305333  1
  Al  Al8  1  0.611862  0.212112  0.305333  1
  Al  Al9  1  0.736239  0.073162  0.396598  1
  Al  Al10  1  0.236239  0.073162  0.396598  1
  Al  Al11  1  0.638507  0.781271  0.438443  1
  Al  Al12  1  0.138507  0.781271  0.438443  1
  Al  Al13  1  0.818457  0.332947  0.431409  1
  Al  Al14  1  0.318457  0.332947  0.431409  1
  Al  Al15  1  0.916180  0.624740  0.389855  1
  Al  Al16  1  0.416180  0.624740  0.389855  1
  Al  Al17  1  0.541038  0.488765  0.480121  1
  Al  Al18  1  0.041038  0.488765  0.480121  1
  Al  Al19  1  0.443570  0.196411  0.521777  1
  Al  Al20  1  0.943570  0.196411  0.521777  1
  Al  Al21  1  0.623590  0.748016  0.514816  1
  Al  Al22  1  0.123590  0.748016  0.514816  1
  Al  Al23  1  0.721058  0.040371  0.473160  1
  Al  Al24  1  0.221058  0.040371  0.473160  1
  Al  Al25  1  0.346171  0.903835  0.563528  1
  Al  Al26  1  0.846171  0.903835  0.563528  1
  Al  Al27  1  0.248448  0.612042  0.605082  1
  Al  Al28  1  0.748448  0.612042  0.605082  1
  Al  Al29  1  0.428389  0.163619  0.598340  1
  Al  Al30  1  0.928389  0.163619  0.598340  1
  Al  Al31  1  0.526121  0.455510  0.556495  1
  Al  Al32  1  0.026121  0.455510  0.556495  1
  Al  Al33  1  0.150870  0.319241  0.646243  1
  Al  Al34  1  0.650870  0.319241  0.646243  1
  Al  Al35  1  0.052766  0.024670  0.689604  1
  Al  Al36  1  0.552766  0.024670  0.689604  1
  Al  Al37  1  0.235218  0.579069  0.683235  1
  Al  Al38  1  0.735218  0.579069  0.683235  1
  Al  Al39  1  0.331262  0.871534  0.639597  1
  Al  Al40  1  0.831262  0.871534  0.639597  1
  Cu  Cu41  1  0.828665  0.867689  0.354180  1
  Cu  Cu42  1  0.328665  0.867689  0.354180  1
  Cu  Cu43  1  0.927060  0.159370  0.312967  1
  Cu  Cu44  1  0.427060  0.159370  0.312967  1
  Cu  Cu45  1  0.116860  0.707430  0.307607  1
  Cu  Cu46  1  0.616860  0.707430  0.307607  1
  Cu  Cu47  1  0.018462  0.414444  0.348340  1
  Cu  Cu48  1  0.518462  0.414444  0.348340  1
  Cu  Cu49  1  0.081144  0.617326  0.354736  1
  Cu  Cu50  1  0.581144  0.617326  0.354736  1
  Cu  Cu51  1  0.177865  0.911557  0.313709  1
  Cu  Cu52  1  0.677865  0.911557  0.313709  1
  Cu  Cu53  1  0.181078  0.410030  0.313873  1
  Cu  Cu54  1  0.681078  0.410030  0.313873  1
  Cu  Cu55  1  0.083646  0.117436  0.354575  1
  Cu  Cu56  1  0.583646  0.117436  0.354575  1
  Cu  Cu57  1  0.862813  0.959747  0.307304  1
  Cu  Cu58  1  0.362813  0.959747  0.307304  1
  Cu  Cu59  1  0.764972  0.666601  0.348239  1
  Cu  Cu60  1  0.264972  0.666601  0.348239  1
  Cu  Cu61  1  0.762648  0.167601  0.348119  1
  Cu  Cu62  1  0.262648  0.167601  0.348119  1
  Cu  Cu63  1  0.859646  0.459438  0.307424  1
  Cu  Cu64  1  0.359646  0.459438  0.307424  1
  Cu  Cu65  1  0.633116  0.284899  0.437834  1
  Cu  Cu66  1  0.133116  0.284899  0.437834  1
  Cu  Cu67  1  0.729764  0.577942  0.396110  1
  Cu  Cu68  1  0.229764  0.577942  0.396110  1
  Cu  Cu69  1  0.921753  0.121315  0.390441  1
  Cu  Cu70  1  0.421753  0.121315  0.390441  1
  Cu  Cu71  1  0.824000  0.828937  0.432060  1
  Cu  Cu72  1  0.324000  0.828937  0.432060  1
  Cu  Cu73  1  0.887741  0.032090  0.438481  1
  Cu  Cu74  1  0.387741  0.032090  0.438481  1
  Cu  Cu75  1  0.985653  0.324135  0.396730  1
  Cu  Cu76  1  0.485653  0.324135  0.396730  1
  Cu  Cu77  1  0.985738  0.823437  0.396840  1
  Cu  Cu78  1  0.485738  0.823437  0.396840  1
  Cu  Cu79  1  0.888347  0.531360  0.438410  1
  Cu  Cu80  1  0.388347  0.531360  0.438410  1
  Cu  Cu81  1  0.666184  0.374595  0.389675  1
  Cu  Cu82  1  0.166184  0.374595  0.389675  1
  Cu  Cu83  1  0.569261  0.082125  0.431441  1
  Cu  Cu84  1  0.069261  0.082125  0.431441  1
  Cu  Cu85  1  0.568701  0.582351  0.431537  1
  Cu  Cu86  1  0.068701  0.582351  0.431537  1
  Cu  Cu87  1  0.666484  0.875334  0.389870  1
  Cu  Cu88  1  0.166484  0.875334  0.389870  1
  Cu  Cu89  1  0.438062  0.700294  0.521238  1
  Cu  Cu90  1  0.938062  0.700294  0.521238  1
  Cu  Cu91  1  0.535504  0.992696  0.479558  1
  Cu  Cu92  1  0.035504  0.992696  0.479558  1
  Cu  Cu93  1  0.726567  0.536487  0.473700  1
  Cu  Cu94  1  0.226567  0.536487  0.473700  1
  Cu  Cu95  1  0.629124  0.244086  0.515380  1
  Cu  Cu96  1  0.129124  0.244086  0.515380  1
  Cu  Cu97  1  0.692917  0.447167  0.521842  1
  Cu  Cu98  1  0.192917  0.447167  0.521842  1
  Cu  Cu99  1  0.790405  0.739568  0.480173  1
  Cu  Cu100  1  0.290405  0.739568  0.480173  1
  Cu  Cu101  1  0.790907  0.239101  0.480078  1
  Cu  Cu102  1  0.290907  0.239101  0.480078  1
  Cu  Cu103  1  0.693463  0.946651  0.521789  1
  Cu  Cu104  1  0.193463  0.946651  0.521789  1
  Cu  Cu105  1  0.471711  0.789614  0.473095  1
  Cu  Cu106  1  0.971711  0.789614  0.473095  1
  Cu  Cu107  1  0.374223  0.497214  0.514765  1
  Cu  Cu108  1  0.874223  0.497214  0.514765  1
  Cu  Cu109  1  0.373721  0.997681  0.514860  1
  Cu  Cu110  1  0.873721  0.997681  0.514860  1
  Cu  Cu111  1  0.471165  0.290130  0.473148  1
  Cu  Cu112  1  0.971165  0.290130  0.473148  1
  Cu  Cu113  1  0.242875  0.115466  0.604496  1
  Cu  Cu114  1  0.742875  0.115466  0.604496  1
  Cu  Cu115  1  0.340628  0.407845  0.562878  1
  Cu  Cu116  1  0.840628  0.407845  0.562878  1
  Cu  Cu117  1  0.531512  0.951883  0.557103  1
  Cu  Cu118  1  0.031512  0.951883  0.557103  1
  Cu  Cu119  1  0.434864  0.658839  0.598827  1
  Cu  Cu120  1  0.934864  0.658839  0.598827  1
  Cu  Cu121  1  0.498444  0.862187  0.605263  1
  Cu  Cu122  1  0.998444  0.862187  0.605263  1
  Cu  Cu123  1  0.595367  0.154657  0.563496  1
  Cu  Cu124  1  0.095367  0.154657  0.563496  1
  Cu  Cu125  1  0.595927  0.654430  0.563400  1
  Cu  Cu126  1  0.095927  0.654430  0.563400  1
  Cu  Cu127  1  0.498144  0.361447  0.605067  1
  Cu  Cu128  1  0.998144  0.361447  0.605067  1
  Cu  Cu129  1  0.276887  0.204691  0.556457  1
  Cu  Cu130  1  0.776887  0.204691  0.556457  1
  Cu  Cu131  1  0.178975  0.912647  0.598207  1
  Cu  Cu132  1  0.678975  0.912647  0.598207  1
  Cu  Cu133  1  0.178890  0.413344  0.598097  1
  Cu  Cu134  1  0.678890  0.413344  0.598097  1
  Cu  Cu135  1  0.276281  0.705422  0.556527  1
  Cu  Cu136  1  0.776281  0.705422  0.556527  1
  Cu  Cu137  1  0.047768  0.529352  0.687330  1
  Cu  Cu138  1  0.547768  0.529352  0.687330  1
  Cu  Cu139  1  0.146166  0.822337  0.646597  1
  Cu  Cu140  1  0.646166  0.822337  0.646597  1
  Cu  Cu141  1  0.335963  0.369092  0.640757  1
  Cu  Cu142  1  0.835963  0.369092  0.640757  1
  Cu  Cu143  1  0.237568  0.077412  0.681971  1
  Cu  Cu144  1  0.737568  0.077412  0.681971  1
  Cu  Cu145  1  0.301815  0.277035  0.687633  1
  Cu  Cu146  1  0.801815  0.277035  0.687633  1
  Cu  Cu147  1  0.399656  0.570180  0.646698  1
  Cu  Cu148  1  0.899656  0.570180  0.646698  1
  Cu  Cu149  1  0.401980  0.069181  0.646818  1
  Cu  Cu150  1  0.901980  0.069181  0.646818  1
  Cu  Cu151  1  0.304982  0.777343  0.687513  1
  Cu  Cu152  1  0.804982  0.777343  0.687513  1
  Cu  Cu153  1  0.083484  0.619455  0.640201  1
  Cu  Cu154  1  0.583484  0.619455  0.640201  1
  Cu  Cu155  1  0.986763  0.325225  0.681228  1
  Cu  Cu156  1  0.486763  0.325225  0.681228  1
  Cu  Cu157  1  0.983550  0.826751  0.681064  1
  Cu  Cu158  1  0.483550  0.826751  0.681064  1
  Cu  Cu159  1  0.080982  0.119345  0.640363  1
  Cu  Cu160  1  0.580982  0.119345  0.640363  1
