# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.98414667
_cell_length_b   6.72342038
_cell_length_c   50.05404031
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.40639288
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al28 Cu84'
_cell_volume   3236.33506952
_cell_formula_units_Z   28
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  0.619793  0.860541  0.288936  1
  Al  Al2  1  0.065680  0.682361  0.319569  1
  Al  Al3  1  0.765917  0.298049  0.297448  1
  Al  Al4  1  0.207867  0.125496  0.331270  1
  Al  Al5  1  0.504912  0.506912  0.351688  1
  Al  Al6  1  0.946691  0.329708  0.382618  1
  Al  Al7  1  0.650231  0.948751  0.361917  1
  Al  Al8  1  0.090399  0.774098  0.393113  1
  Al  Al9  1  0.388398  0.154761  0.414128  1
  Al  Al10  1  0.829500  0.978132  0.445277  1
  Al  Al11  1  0.532279  0.597570  0.424333  1
  Al  Al12  1  0.973401  0.422130  0.455645  1
  Al  Al13  1  0.270741  0.802443  0.476653  1
  Al  Al14  1  0.712074  0.626426  0.507907  1
  Al  Al15  1  0.414783  0.245825  0.486959  1
  Al  Al16  1  0.856117  0.069808  0.518213  1
  Al  Al17  1  0.153456  0.450121  0.539221  1
  Al  Al18  1  0.594578  0.274681  0.570533  1
  Al  Al19  1  0.297358  0.894118  0.549590  1
  Al  Al20  1  0.738459  0.717490  0.580738  1
  Al  Al21  1  0.036458  0.098152  0.601753  1
  Al  Al22  1  0.476626  0.923500  0.632949  1
  Al  Al23  1  0.180166  0.542543  0.612248  1
  Al  Al24  1  0.621945  0.365339  0.643178  1
  Al  Al25  1  0.918990  0.746755  0.663596  1
  Al  Al26  1  0.360940  0.574201  0.697418  1
  Al  Al27  1  0.061177  0.189889  0.675297  1
  Al  Al28  1  0.507064  0.011710  0.705930  1
  Cu  Cu29  1  0.559850  0.183795  0.320126  1
  Cu  Cu30  1  0.118708  0.353393  0.289715  1
  Cu  Cu31  1  0.712602  0.622271  0.330543  1
  Cu  Cu32  1  0.275278  0.802473  0.299789  1
  Cu  Cu33  1  0.812216  0.933604  0.320223  1
  Cu  Cu34  1  0.370193  0.114999  0.290389  1
  Cu  Cu35  1  0.871360  0.609317  0.290040  1
  Cu  Cu36  1  0.314378  0.434497  0.320024  1
  Cu  Cu37  1  0.459794  0.875647  0.330769  1
  Cu  Cu38  1  0.017869  0.052243  0.299563  1
  Cu  Cu39  1  0.516212  0.552373  0.299834  1
  Cu  Cu40  1  0.956303  0.374952  0.330540  1
  Cu  Cu41  1  0.440672  0.833054  0.382482  1
  Cu  Cu42  1  0.998981  0.006682  0.351056  1
  Cu  Cu43  1  0.597271  0.271335  0.393405  1
  Cu  Cu44  1  0.154855  0.449104  0.362068  1
  Cu  Cu45  1  0.696629  0.580350  0.382657  1
  Cu  Cu46  1  0.254684  0.757032  0.351564  1
  Cu  Cu47  1  0.755169  0.256659  0.350762  1
  Cu  Cu48  1  0.196587  0.080629  0.382991  1
  Cu  Cu49  1  0.340871  0.523507  0.393143  1
  Cu  Cu50  1  0.900376  0.697960  0.361360  1
  Cu  Cu51  1  0.399792  0.200524  0.361969  1
  Cu  Cu52  1  0.840907  0.023806  0.393014  1
  Cu  Cu53  1  0.323439  0.480682  0.444993  1
  Cu  Cu54  1  0.882036  0.656409  0.413501  1
  Cu  Cu55  1  0.479428  0.919544  0.456067  1
  Cu  Cu56  1  0.037805  0.095880  0.424798  1
  Cu  Cu57  1  0.579085  0.229131  0.445383  1
  Cu  Cu58  1  0.137331  0.405221  0.414069  1
  Cu  Cu59  1  0.638029  0.904238  0.414016  1
  Cu  Cu60  1  0.079296  0.728458  0.445283  1
  Cu  Cu61  1  0.223877  0.171288  0.455625  1
  Cu  Cu62  1  0.782849  0.347065  0.424306  1
  Cu  Cu63  1  0.282222  0.847830  0.424505  1
  Cu  Cu64  1  0.723602  0.671674  0.455704  1
  Cu  Cu65  1  0.206147  0.128486  0.507531  1
  Cu  Cu66  1  0.764893  0.304479  0.476215  1
  Cu  Cu67  1  0.361964  0.567772  0.518651  1
  Cu  Cu68  1  0.920710  0.743764  0.487335  1
  Cu  Cu69  1  0.461500  0.877128  0.507976  1
  Cu  Cu70  1  0.020188  0.053170  0.476653  1
  Cu  Cu71  1  0.520657  0.552463  0.476572  1
  Cu  Cu72  1  0.962018  0.376488  0.507838  1
  Cu  Cu73  1  0.106669  0.819080  0.518213  1
  Cu  Cu74  1  0.665357  0.995123  0.486890  1
  Cu  Cu75  1  0.164839  0.495763  0.487028  1
  Cu  Cu76  1  0.606200  0.319788  0.518294  1
  Cu  Cu77  1  0.089052  0.776371  0.570068  1
  Cu  Cu78  1  0.647429  0.952707  0.538799  1
  Cu  Cu79  1  0.244821  0.215841  0.581365  1
  Cu  Cu80  1  0.803418  0.391569  0.549874  1
  Cu  Cu81  1  0.344008  0.525185  0.570560  1
  Cu  Cu82  1  0.902980  0.700963  0.539241  1
  Cu  Cu83  1  0.403255  0.200576  0.539162  1
  Cu  Cu84  1  0.844635  0.024420  0.570361  1
  Cu  Cu85  1  0.989526  0.467030  0.580797  1
  Cu  Cu86  1  0.547772  0.643119  0.549483  1
  Cu  Cu87  1  0.047561  0.143793  0.549583  1
  Cu  Cu88  1  0.488828  0.968013  0.580850  1
  Cu  Cu89  1  0.972002  0.423147  0.632798  1
  Cu  Cu90  1  0.529586  0.600915  0.601461  1
  Cu  Cu91  1  0.127876  0.865569  0.643810  1
  Cu  Cu92  1  0.686185  0.039197  0.612384  1
  Cu  Cu93  1  0.226481  0.174291  0.633506  1
  Cu  Cu94  1  0.785986  0.348744  0.601723  1
  Cu  Cu95  1  0.285950  0.848445  0.601852  1
  Cu  Cu96  1  0.727065  0.671727  0.632897  1
  Cu  Cu97  1  0.872173  0.115219  0.643302  1
  Cu  Cu98  1  0.430228  0.291901  0.612209  1
  Cu  Cu99  1  0.930270  0.791622  0.611875  1
  Cu  Cu100  1  0.371688  0.615592  0.644104  1
  Cu  Cu101  1  0.851579  0.069778  0.695077  1
  Cu  Cu102  1  0.414255  0.249980  0.664324  1
  Cu  Cu103  1  0.008149  0.518858  0.705151  1
  Cu  Cu104  1  0.567007  0.688456  0.674740  1
  Cu  Cu105  1  0.108988  0.820008  0.695303  1
  Cu  Cu106  1  0.667063  0.996603  0.664097  1
  Cu  Cu107  1  0.170554  0.497298  0.664326  1
  Cu  Cu108  1  0.610645  0.319878  0.695033  1
  Cu  Cu109  1  0.756664  0.757252  0.704477  1
  Cu  Cu110  1  0.314642  0.938647  0.674644  1
  Cu  Cu111  1  0.812479  0.437754  0.674842  1
  Cu  Cu112  1  0.255497  0.262933  0.704826  1
