# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25954568
_cell_length_b   14.54209445
_cell_length_c   53.99509266
_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   'Al30 Cu90'
_cell_volume   3344.60267121
_cell_formula_units_Z   30
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  0.501576  0.553532  0.305526  1
  Al  Al2  1  0.501576  0.836349  0.274763  1
  Al  Al3  1  0.501576  0.260913  0.336959  1
  Al  Al4  1  1.001576  0.710340  0.342421  1
  Al  Al5  1  0.001576  1.000389  0.311434  1
  Al  Al6  1  0.001576  0.291839  0.280419  1
  Al  Al7  1  0.501576  0.679857  0.397466  1
  Al  Al8  1  0.501576  0.971069  0.367348  1
  Al  Al9  1  0.501576  0.389904  0.427847  1
  Al  Al10  1  1.001576  0.839803  0.433054  1
  Al  Al11  1  1.001576  0.129981  0.402575  1
  Al  Al12  1  0.001576  0.420368  0.371895  1
  Al  Al13  1  0.501576  0.809307  0.488464  1
  Al  Al14  1  0.501576  0.099887  0.458227  1
  Al  Al15  1  0.501576  0.518998  0.518798  1
  Al  Al16  1  0.001576  0.969009  0.523937  1
  Al  Al17  1  0.001576  0.259025  0.493533  1
  Al  Al18  1  1.001576  0.549269  0.463197  1
  Al  Al19  1  0.501576  0.938309  0.579491  1
  Al  Al20  1  0.501576  0.228673  0.549332  1
  Al  Al21  1  0.501576  0.648673  0.609692  1
  Al  Al22  1  1.001576  0.097602  0.615256  1
  Al  Al23  1  1.001576  0.387653  0.584426  1
  Al  Al24  1  0.001576  0.678466  0.554140  1
  Al  Al25  1  0.501576  0.066594  0.670130  1
  Al  Al26  1  0.501576  0.358452  0.640428  1
  Al  Al27  1  0.501576  0.771989  0.702628  1
  Al  Al28  1  1.001576  0.227808  0.706853  1
  Al  Al29  1  0.001576  0.517427  0.674332  1
  Al  Al30  1  1.001576  0.807662  0.645047  1
  Cu  Cu31  1  0.501576  0.610978  0.352303  1
  Cu  Cu32  1  0.501576  0.902035  0.322296  1
  Cu  Cu33  1  0.501576  0.192454  0.291835  1
  Cu  Cu34  1  0.001576  0.652922  0.295948  1
  Cu  Cu35  1  0.001576  0.069601  0.356537  1
  Cu  Cu36  1  0.001576  0.358795  0.326087  1
  Cu  Cu37  1  0.501576  0.793184  0.359898  1
  Cu  Cu38  1  0.501576  0.083346  0.329288  1
  Cu  Cu39  1  0.501576  0.373422  0.299135  1
  Cu  Cu40  1  0.501576  0.729039  0.315012  1
  Cu  Cu41  1  0.501576  0.019399  0.284459  1
  Cu  Cu42  1  0.501576  0.439039  0.343929  1
  Cu  Cu43  1  0.001576  0.469976  0.289820  1
  Cu  Cu44  1  0.001576  0.888849  0.349905  1
  Cu  Cu45  1  0.001576  0.179771  0.319175  1
  Cu  Cu46  1  0.001576  0.534013  0.334036  1
  Cu  Cu47  1  0.001576  0.824408  0.304946  1
  Cu  Cu48  1  0.001576  0.113677  0.275153  1
  Cu  Cu49  1  0.501576  0.740696  0.443392  1
  Cu  Cu50  1  0.501576  0.031320  0.413206  1
  Cu  Cu51  1  0.501576  0.321872  0.382703  1
  Cu  Cu52  1  0.001576  0.779178  0.387272  1
  Cu  Cu53  1  0.001576  0.198651  0.447600  1
  Cu  Cu54  1  1.001576  0.488547  0.417229  1
  Cu  Cu55  1  0.501576  0.922021  0.450608  1
  Cu  Cu56  1  0.501576  0.212306  0.420188  1
  Cu  Cu57  1  0.501576  0.501970  0.389760  1
  Cu  Cu58  1  0.501576  0.857632  0.405257  1
  Cu  Cu59  1  0.501576  0.148044  0.374851  1
  Cu  Cu60  1  0.501576  0.567075  0.435387  1
  Cu  Cu61  1  0.001576  0.597651  0.379935  1
  Cu  Cu62  1  0.001576  0.017683  0.440616  1
  Cu  Cu63  1  1.001576  0.308042  0.410106  1
  Cu  Cu64  1  1.001576  0.662294  0.425326  1
  Cu  Cu65  1  0.001576  0.952827  0.395108  1
  Cu  Cu66  1  0.001576  0.242944  0.364692  1
  Cu  Cu67  1  0.501576  0.869983  0.534360  1
  Cu  Cu68  1  0.501576  0.160293  0.504174  1
  Cu  Cu69  1  0.501576  0.450479  0.473757  1
  Cu  Cu70  1  0.001576  0.908311  0.478063  1
  Cu  Cu71  1  0.001576  0.327339  0.538595  1
  Cu  Cu72  1  0.001576  0.617821  0.508275  1
  Cu  Cu73  1  0.501576  0.050977  0.541605  1
  Cu  Cu74  1  0.501576  0.341075  0.511214  1
  Cu  Cu75  1  0.501576  0.631430  0.480827  1
  Cu  Cu76  1  0.501576  0.986737  0.496140  1
  Cu  Cu77  1  0.501576  0.276995  0.465785  1
  Cu  Cu78  1  0.501576  0.696332  0.526373  1
  Cu  Cu79  1  0.001576  0.727101  0.470891  1
  Cu  Cu80  1  0.001576  0.146733  0.531594  1
  Cu  Cu81  1  1.001576  0.436814  0.501179  1
  Cu  Cu82  1  0.001576  0.791540  0.516265  1
  Cu  Cu83  1  0.001576  0.081888  0.486000  1
  Cu  Cu84  1  1.001576  0.372064  0.455607  1
  Cu  Cu85  1  0.501576  0.997750  0.625560  1
  Cu  Cu86  1  0.501576  0.289407  0.595276  1
  Cu  Cu87  1  0.501576  0.579671  0.564675  1
  Cu  Cu88  1  0.001576  0.037472  0.569078  1
  Cu  Cu89  1  0.001576  0.456119  0.629202  1
  Cu  Cu90  1  0.001576  0.747371  0.599099  1
  Cu  Cu91  1  0.501576  0.180196  0.632625  1
  Cu  Cu92  1  0.501576  0.470214  0.602012  1
  Cu  Cu93  1  0.501576  0.760733  0.571750  1
  Cu  Cu94  1  0.501576  0.115487  0.587312  1
  Cu  Cu95  1  0.501576  0.405971  0.556704  1
  Cu  Cu96  1  0.501576  0.825127  0.617487  1
  Cu  Cu97  1  0.001576  0.856455  0.561768  1
  Cu  Cu98  1  0.001576  0.275617  0.622787  1
  Cu  Cu99  1  0.001576  0.565970  0.592051  1
  Cu  Cu100  1  0.001576  0.920674  0.607201  1
  Cu  Cu101  1  0.001576  0.210558  0.577157  1
  Cu  Cu102  1  1.001576  0.501055  0.546576  1
  Cu  Cu103  1  0.501576  0.129675  0.715270  1
  Cu  Cu104  1  0.501576  0.420862  0.686222  1
  Cu  Cu105  1  0.501576  0.708417  0.656323  1
  Cu  Cu106  1  1.001576  0.166227  0.660513  1
  Cu  Cu107  1  1.001576  0.585089  0.718230  1
  Cu  Cu108  1  1.001576  0.873987  0.690677  1
  Cu  Cu109  1  0.501576  0.313152  0.721782  1
  Cu  Cu110  1  0.501576  0.595805  0.693200  1
  Cu  Cu111  1  0.501576  0.886376  0.663464  1
  Cu  Cu112  1  0.501576  0.244965  0.678005  1
  Cu  Cu113  1  0.501576  0.535803  0.647198  1
  Cu  Cu114  1  0.501576  0.953167  0.707283  1
  Cu  Cu115  1  1.001576  0.983828  0.653063  1
  Cu  Cu116  1  0.001576  0.409101  0.712747  1
  Cu  Cu117  1  0.001576  0.696014  0.682707  1
  Cu  Cu118  1  1.001576  0.047964  0.698133  1
  Cu  Cu119  1  0.001576  0.339421  0.668341  1
  Cu  Cu120  1  0.001576  0.631157  0.637175  1
