# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27131525
_cell_length_b   10.29744387
_cell_length_c   47.91141844
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al81 Cu27'
_cell_volume   3587.41348263
_cell_formula_units_Z   27
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  0.519879  0.181803  0.308621  1
  Al  Al2  1  0.519879  0.950693  0.276610  1
  Al  Al3  1  0.519879  0.552373  0.293462  1
  Al  Al4  1  0.240480  0.366171  0.300997  1
  Al  Al5  1  0.234025  0.135074  0.271563  1
  Al  Al6  1  0.265608  0.751044  0.285471  1
  Al  Al7  1  0.799279  0.366171  0.300997  1
  Al  Al8  1  0.805734  0.135074  0.271563  1
  Al  Al9  1  0.774151  0.751044  0.285471  1
  Al  Al10  1  0.519879  0.020144  0.361710  1
  Al  Al11  1  0.519879  0.786032  0.327354  1
  Al  Al12  1  0.519879  0.406583  0.342942  1
  Al  Al13  1  0.263461  0.214784  0.352713  1
  Al  Al14  1  0.266985  0.981624  0.319772  1
  Al  Al15  1  0.256272  0.596958  0.335897  1
  Al  Al16  1  0.776297  0.214784  0.352713  1
  Al  Al17  1  0.772774  0.981624  0.319772  1
  Al  Al18  1  0.783487  0.596958  0.335897  1
  Al  Al19  1  0.519879  0.866941  0.411296  1
  Al  Al20  1  0.519879  0.636547  0.377873  1
  Al  Al21  1  0.519879  0.252021  0.395019  1
  Al  Al22  1  0.251802  0.059350  0.402861  1
  Al  Al23  1  0.252100  0.828085  0.369396  1
  Al  Al24  1  0.256569  0.443986  0.386042  1
  Al  Al25  1  0.787957  0.059350  0.402861  1
  Al  Al26  1  0.787659  0.828085  0.369396  1
  Al  Al27  1  0.783190  0.443986  0.386042  1
  Al  Al28  1  0.519879  0.712325  0.461550  1
  Al  Al29  1  0.519879  0.482040  0.428232  1
  Al  Al30  1  0.519879  0.097719  0.444686  1
  Al  Al31  1  0.254786  0.905008  0.453182  1
  Al  Al32  1  0.253927  0.674406  0.419619  1
  Al  Al33  1  0.251635  0.289618  0.436277  1
  Al  Al34  1  0.784973  0.905008  0.453182  1
  Al  Al35  1  0.785832  0.674406  0.419619  1
  Al  Al36  1  0.788124  0.289618  0.436277  1
  Al  Al37  1  0.519879  0.558699  0.511766  1
  Al  Al38  1  0.519879  0.328242  0.478167  1
  Al  Al39  1  0.519879  0.943268  0.495089  1
  Al  Al40  1  0.254066  0.750985  0.503412  1
  Al  Al41  1  0.252855  0.520249  0.469853  1
  Al  Al42  1  0.254676  0.135757  0.486660  1
  Al  Al43  1  0.785693  0.750985  0.503412  1
  Al  Al44  1  0.786904  0.520249  0.469853  1
  Al  Al45  1  0.785082  0.135757  0.486660  1
  Al  Al46  1  0.519879  0.404952  0.561886  1
  Al  Al47  1  0.519879  0.174311  0.528549  1
  Al  Al48  1  0.519879  0.789095  0.545389  1
  Al  Al49  1  0.253123  0.597217  0.553775  1
  Al  Al50  1  0.253677  0.366597  0.520186  1
  Al  Al51  1  0.253899  0.981663  0.536900  1
  Al  Al52  1  0.786636  0.597217  0.553775  1
  Al  Al53  1  0.786082  0.366597  0.520186  1
  Al  Al54  1  0.785860  0.981663  0.536900  1
  Al  Al55  1  0.519879  0.251217  0.611940  1
  Al  Al56  1  0.519879  0.019776  0.578615  1
  Al  Al57  1  0.519879  0.634876  0.595502  1
  Al  Al58  1  0.255528  0.443258  0.604014  1
  Al  Al59  1  0.253194  0.212593  0.570383  1
  Al  Al60  1  0.252473  0.827237  0.587256  1
  Al  Al61  1  0.784231  0.443258  0.604014  1
  Al  Al62  1  0.786564  0.212593  0.570383  1
  Al  Al63  1  0.787286  0.827237  0.587256  1
  Al  Al64  1  0.519879  0.100521  0.662688  1
  Al  Al65  1  0.519879  0.864934  0.628541  1
  Al  Al66  1  0.519879  0.482917  0.646917  1
  Al  Al67  1  0.258560  0.289912  0.653907  1
  Al  Al68  1  0.254661  0.058549  0.620458  1
  Al  Al69  1  0.257465  0.672783  0.637769  1
  Al  Al70  1  0.781199  0.289912  0.653907  1
  Al  Al71  1  0.785098  0.058549  0.620458  1
  Al  Al72  1  0.782293  0.672783  0.637769  1
  Al  Al73  1  0.519879  0.947470  0.711017  1
  Al  Al74  1  0.519879  0.710068  0.681332  1
  Al  Al75  1  0.519879  0.330633  0.696399  1
  Al  Al76  1  0.253838  0.135478  0.704106  1
  Al  Al77  1  0.265274  0.904630  0.670008  1
  Al  Al78  1  0.248012  0.522243  0.688101  1
  Al  Al79  1  0.785920  0.135478  0.704106  1
  Al  Al80  1  0.774485  0.904630  0.670008  1
  Al  Al81  1  0.791747  0.522243  0.688101  1
  Cu  Cu82  1  0.019879  0.168357  0.314416  1
  Cu  Cu83  1  0.019879  0.937813  0.281569  1
  Cu  Cu84  1  0.019879  0.568833  0.295877  1
  Cu  Cu85  1  0.019879  0.022405  0.360586  1
  Cu  Cu86  1  0.019879  0.791163  0.327280  1
  Cu  Cu87  1  0.019879  0.403899  0.344598  1
  Cu  Cu88  1  0.019879  0.866392  0.411440  1
  Cu  Cu89  1  0.019879  0.634620  0.377599  1
  Cu  Cu90  1  0.019879  0.252199  0.393669  1
  Cu  Cu91  1  0.019879  0.713187  0.461511  1
  Cu  Cu92  1  0.019879  0.482408  0.427675  1
  Cu  Cu93  1  0.019879  0.096639  0.444975  1
  Cu  Cu94  1  0.019879  0.558917  0.511821  1
  Cu  Cu95  1  0.019879  0.327603  0.478386  1
  Cu  Cu96  1  0.019879  0.943487  0.494982  1
  Cu  Cu97  1  0.019879  0.405005  0.562235  1
  Cu  Cu98  1  0.019879  0.173947  0.528438  1
  Cu  Cu99  1  0.019879  0.789544  0.545219  1
  Cu  Cu100  1  0.019879  0.251417  0.612517  1
  Cu  Cu101  1  0.019879  0.020092  0.578764  1
  Cu  Cu102  1  0.019879  0.634856  0.596075  1
  Cu  Cu103  1  0.019879  0.095846  0.661958  1
  Cu  Cu104  1  0.019879  0.865679  0.629410  1
  Cu  Cu105  1  0.019879  0.481353  0.645608  1
  Cu  Cu106  1  0.019879  0.939470  0.707552  1
  Cu  Cu107  1  0.019879  0.718711  0.677981  1
  Cu  Cu108  1  0.019879  0.324457  0.693268  1
