# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.18830026
_cell_length_b   11.28639279
_cell_length_c   47.96912315
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.02053433
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al28 Cu84'
_cell_volume   3236.48629395
_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  0.366052  0.876117  0.285252  1
  Al  Al2  1  0.143913  0.336247  0.313350  1
  Al  Al3  1  0.439041  0.587990  0.319773  1
  Al  Al4  1  0.651586  0.123683  0.289771  1
  Al  Al5  1  0.931441  0.798748  0.347179  1
  Al  Al6  1  0.713463  0.259224  0.377658  1
  Al  Al7  1  0.007015  0.503320  0.382890  1
  Al  Al8  1  0.220915  0.043713  0.351600  1
  Al  Al9  1  0.498783  0.718272  0.409241  1
  Al  Al10  1  0.282852  0.178198  0.440449  1
  Al  Al11  1  0.575143  0.422331  0.445184  1
  Al  Al12  1  0.790802  0.963225  0.414005  1
  Al  Al13  1  0.066783  0.637511  0.471771  1
  Al  Al14  1  0.851422  0.097143  0.503105  1
  Al  Al15  1  0.143708  0.341535  0.507821  1
  Al  Al16  1  0.359583  0.882199  0.476615  1
  Al  Al17  1  0.635426  0.556558  0.534291  1
  Al  Al18  1  0.420211  0.016285  0.565780  1
  Al  Al19  1  0.712494  0.260420  0.570376  1
  Al  Al20  1  0.928103  0.801379  0.539206  1
  Al  Al21  1  0.204272  0.475965  0.596780  1
  Al  Al22  1  0.988873  0.934521  0.628301  1
  Al  Al23  1  0.281805  0.179272  0.633346  1
  Al  Al24  1  0.496633  0.720973  0.601786  1
  Al  Al25  1  0.772522  0.396125  0.658622  1
  Al  Al26  1  0.551637  0.857127  0.692545  1
  Al  Al27  1  0.856824  0.096985  0.697219  1
  Al  Al28  1  0.066360  0.638277  0.663440  1
  Cu  Cu29  1  0.031920  0.568998  0.330873  1
  Cu  Cu30  1  0.245592  0.105687  0.299391  1
  Cu  Cu31  1  0.338122  0.814270  0.336787  1
  Cu  Cu32  1  0.557127  0.354063  0.305057  1
  Cu  Cu33  1  0.591146  0.954897  0.323235  1
  Cu  Cu34  1  0.805434  0.500427  0.292556  1
  Cu  Cu35  1  0.704841  0.726189  0.307598  1
  Cu  Cu36  1  0.482044  0.184536  0.338499  1
  Cu  Cu37  1  0.990123  0.967516  0.312221  1
  Cu  Cu38  1  0.205190  0.514199  0.282979  1
  Cu  Cu39  1  0.095165  0.741286  0.297030  1
  Cu  Cu40  1  0.882246  0.198657  0.327854  1
  Cu  Cu41  1  0.597436  0.489250  0.392553  1
  Cu  Cu42  1  0.812792  0.030385  0.361452  1
  Cu  Cu43  1  0.907679  0.731937  0.399357  1
  Cu  Cu44  1  0.122081  0.273677  0.367141  1
  Cu  Cu45  1  0.159848  0.874351  0.385936  1
  Cu  Cu46  1  0.374162  0.414422  0.353492  1
  Cu  Cu47  1  0.269533  0.643310  0.370047  1
  Cu  Cu48  1  0.051701  0.104292  0.401265  1
  Cu  Cu49  1  0.561291  0.888215  0.375061  1
  Cu  Cu50  1  0.777750  0.428890  0.343530  1
  Cu  Cu51  1  0.669010  0.658962  0.359323  1
  Cu  Cu52  1  0.451996  0.118821  0.390472  1
  Cu  Cu53  1  0.166510  0.408665  0.455243  1
  Cu  Cu54  1  0.382235  0.949539  0.424093  1
  Cu  Cu55  1  0.475772  0.651260  0.461766  1
  Cu  Cu56  1  0.691050  0.191907  0.430315  1
  Cu  Cu57  1  0.727954  0.793527  0.448305  1
  Cu  Cu58  1  0.943918  0.333541  0.416801  1
  Cu  Cu59  1  0.836200  0.562849  0.432640  1
  Cu  Cu60  1  0.620846  0.022813  0.463915  1
  Cu  Cu61  1  0.130074  0.807245  0.437607  1
  Cu  Cu62  1  0.345267  0.347526  0.405912  1
  Cu  Cu63  1  0.237618  0.577854  0.421944  1
  Cu  Cu64  1  0.021369  0.037621  0.453151  1
  Cu  Cu65  1  0.735157  0.327781  0.517896  1
  Cu  Cu66  1  0.950763  0.868424  0.486665  1
  Cu  Cu67  1  0.044415  0.570391  0.524281  1
  Cu  Cu68  1  0.259867  0.110920  0.492990  1
  Cu  Cu69  1  0.296489  0.712565  0.510833  1
  Cu  Cu70  1  0.512484  0.252925  0.479536  1
  Cu  Cu71  1  0.404966  0.482080  0.495120  1
  Cu  Cu72  1  0.189444  0.941871  0.526503  1
  Cu  Cu73  1  0.698525  0.726289  0.500117  1
  Cu  Cu74  1  0.913984  0.266695  0.468720  1
  Cu  Cu75  1  0.805703  0.496835  0.484430  1
  Cu  Cu76  1  0.590017  0.956664  0.515784  1
  Cu  Cu77  1  0.304146  0.246678  0.580608  1
  Cu  Cu78  1  0.519396  0.787542  0.549209  1
  Cu  Cu79  1  0.613090  0.489367  0.586837  1
  Cu  Cu80  1  0.828612  0.029959  0.555692  1
  Cu  Cu81  1  0.864861  0.631672  0.573274  1
  Cu  Cu82  1  0.081246  0.171887  0.542225  1
  Cu  Cu83  1  0.973745  0.401132  0.557711  1
  Cu  Cu84  1  0.757708  0.860822  0.589231  1
  Cu  Cu85  1  0.267427  0.645514  0.562633  1
  Cu  Cu86  1  0.482518  0.185724  0.531369  1
  Cu  Cu87  1  0.374411  0.415901  0.546988  1
  Cu  Cu88  1  0.158673  0.876046  0.578339  1
  Cu  Cu89  1  0.872683  0.165323  0.643925  1
  Cu  Cu90  1  0.087460  0.707089  0.611570  1
  Cu  Cu91  1  0.182565  0.408549  0.648912  1
  Cu  Cu92  1  0.398075  0.949303  0.618337  1
  Cu  Cu93  1  0.434329  0.551065  0.635868  1
  Cu  Cu94  1  0.650562  0.091040  0.604970  1
  Cu  Cu95  1  0.542942  0.319499  0.620211  1
  Cu  Cu96  1  0.328794  0.780010  0.651811  1
  Cu  Cu97  1  0.834622  0.565571  0.624927  1
  Cu  Cu98  1  0.051297  0.104832  0.594231  1
  Cu  Cu99  1  0.944007  0.334247  0.609444  1
  Cu  Cu100  1  0.725186  0.795410  0.641804  1
  Cu  Cu101  1  0.436376  0.092121  0.703850  1
  Cu  Cu102  1  0.655850  0.624315  0.674826  1
  Cu  Cu103  1  0.740140  0.331015  0.709399  1
  Cu  Cu104  1  0.965827  0.868091  0.680917  1
  Cu  Cu105  1  1.002796  0.468579  0.697947  1
  Cu  Cu106  1  0.217901  0.009459  0.667264  1
  Cu  Cu107  1  0.109537  0.242674  0.682867  1
  Cu  Cu108  1  0.896138  0.693788  0.711826  1
  Cu  Cu109  1  0.402782  0.482024  0.687999  1
  Cu  Cu110  1  0.622770  0.023650  0.656997  1
  Cu  Cu111  1  0.511876  0.255106  0.672331  1
  Cu  Cu112  1  0.297791  0.708254  0.702437  1
