# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.51998075
_cell_length_b   16.42056988
_cell_length_c   48.93481898
_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   3631.97455193
_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  0.328461  0.316986  0.333388  1
  Al  Al2  1  0.347987  0.912706  0.305713  1
  Al  Al3  1  0.338710  0.714548  0.362067  1
  Al  Al4  1  0.666708  0.515265  0.348534  1
  Al  Al5  1  0.674801  0.113644  0.318870  1
  Al  Al6  1  0.664165  0.716375  0.293720  1
  Al  Al7  1  0.338207  0.515239  0.417677  1
  Al  Al8  1  0.340269  0.115022  0.389731  1
  Al  Al9  1  0.339769  0.915767  0.445470  1
  Al  Al10  1  0.666575  0.715706  0.431687  1
  Al  Al11  1  0.665093  0.314895  0.403610  1
  Al  Al12  1  0.669134  0.915400  0.376049  1
  Al  Al13  1  0.339146  0.715972  0.501186  1
  Al  Al14  1  0.338408  0.315581  0.473308  1
  Al  Al15  1  0.338645  0.116233  0.529054  1
  Al  Al16  1  0.666564  0.916146  0.515088  1
  Al  Al17  1  0.666131  0.515670  0.487275  1
  Al  Al18  1  0.666542  0.115781  0.459317  1
  Al  Al19  1  0.340115  0.916773  0.584827  1
  Al  Al20  1  0.338909  0.516048  0.556864  1
  Al  Al21  1  0.336680  0.316863  0.612540  1
  Al  Al22  1  0.666243  0.116658  0.598637  1
  Al  Al23  1  0.666748  0.716165  0.570699  1
  Al  Al24  1  0.665942  0.316156  0.543066  1
  Al  Al25  1  0.337456  0.117057  0.669817  1
  Al  Al26  1  0.340209  0.716886  0.640063  1
  Al  Al27  1  0.333287  0.517899  0.695966  1
  Al  Al28  1  0.652775  0.315354  0.683161  1
  Al  Al29  1  0.671722  0.916628  0.653513  1
  Al  Al30  1  0.666058  0.517617  0.626579  1
  Cu  Cu31  1  0.315693  0.212481  0.294050  1
  Cu  Cu32  1  0.330073  0.014165  0.347805  1
  Cu  Cu33  1  0.323087  0.614878  0.319673  1
  Cu  Cu34  1  0.682780  0.415396  0.307125  1
  Cu  Cu35  1  0.677294  0.215073  0.361268  1
  Cu  Cu36  1  0.678982  0.814987  0.334480  1
  Cu  Cu37  1  0.832474  0.365316  0.355239  1
  Cu  Cu38  1  0.842061  0.963043  0.327175  1
  Cu  Cu39  1  0.829558  0.566581  0.300782  1
  Cu  Cu40  1  0.829118  0.265299  0.313160  1
  Cu  Cu41  1  0.839260  0.065201  0.368298  1
  Cu  Cu42  1  0.836336  0.665314  0.341429  1
  Cu  Cu43  1  0.170332  0.466979  0.326588  1
  Cu  Cu44  1  0.171806  0.063132  0.300288  1
  Cu  Cu45  1  0.171290  0.865257  0.354914  1
  Cu  Cu46  1  0.167113  0.565229  0.369019  1
  Cu  Cu47  1  0.170578  0.164812  0.341448  1
  Cu  Cu48  1  0.164019  0.765157  0.313875  1
  Cu  Cu49  1  0.321980  0.415163  0.375746  1
  Cu  Cu50  1  0.324728  0.215379  0.431465  1
  Cu  Cu51  1  0.326329  0.815429  0.403730  1
  Cu  Cu52  1  0.680247  0.615377  0.390124  1
  Cu  Cu53  1  0.679373  0.415293  0.445505  1
  Cu  Cu54  1  0.681215  0.015628  0.417573  1
  Cu  Cu55  1  0.837895  0.565515  0.438719  1
  Cu  Cu56  1  0.838811  0.165348  0.410438  1
  Cu  Cu57  1  0.838975  0.765445  0.383049  1
  Cu  Cu58  1  0.837139  0.465097  0.396920  1
  Cu  Cu59  1  0.837738  0.265443  0.452301  1
  Cu  Cu60  1  0.839314  0.865589  0.424634  1
  Cu  Cu61  1  0.167307  0.665387  0.410744  1
  Cu  Cu62  1  0.166176  0.265294  0.382460  1
  Cu  Cu63  1  0.167426  0.065602  0.438423  1
  Cu  Cu64  1  0.167371  0.765776  0.452573  1
  Cu  Cu65  1  0.166449  0.365204  0.424614  1
  Cu  Cu66  1  0.168547  0.965541  0.396762  1
  Cu  Cu67  1  0.325498  0.615606  0.459449  1
  Cu  Cu68  1  0.325200  0.415845  0.515091  1
  Cu  Cu69  1  0.325674  0.015975  0.487263  1
  Cu  Cu70  1  0.680041  0.815893  0.473381  1
  Cu  Cu71  1  0.679728  0.615977  0.528988  1
  Cu  Cu72  1  0.679809  0.215935  0.501184  1
  Cu  Cu73  1  0.838503  0.766130  0.522120  1
  Cu  Cu74  1  0.837765  0.365722  0.494310  1
  Cu  Cu75  1  0.838648  0.965887  0.466449  1
  Cu  Cu76  1  0.838394  0.665768  0.480265  1
  Cu  Cu77  1  0.837989  0.465970  0.535934  1
  Cu  Cu78  1  0.838142  0.066082  0.508049  1
  Cu  Cu79  1  0.167308  0.865998  0.494151  1
  Cu  Cu80  1  0.166768  0.465495  0.466304  1
  Cu  Cu81  1  0.166943  0.266041  0.522025  1
  Cu  Cu82  1  0.167421  0.966297  0.536102  1
  Cu  Cu83  1  0.166946  0.565869  0.508202  1
  Cu  Cu84  1  0.167127  0.165799  0.480353  1
  Cu  Cu85  1  0.325909  0.816357  0.542945  1
  Cu  Cu86  1  0.325011  0.616427  0.598505  1
  Cu  Cu87  1  0.324453  0.216387  0.570921  1
  Cu  Cu88  1  0.680163  0.016476  0.556814  1
  Cu  Cu89  1  0.682266  0.816305  0.612293  1
  Cu  Cu90  1  0.679553  0.416473  0.584924  1
  Cu  Cu91  1  0.840205  0.966944  0.605422  1
  Cu  Cu92  1  0.838053  0.566301  0.577765  1
  Cu  Cu93  1  0.837882  0.166400  0.550021  1
  Cu  Cu94  1  0.838738  0.866398  0.563679  1
  Cu  Cu95  1  0.839019  0.666409  0.619424  1
  Cu  Cu96  1  0.837280  0.266517  0.591845  1
  Cu  Cu97  1  0.167662  0.066617  0.577758  1
  Cu  Cu98  1  0.167191  0.666098  0.549758  1
  Cu  Cu99  1  0.165861  0.466676  0.605606  1
  Cu  Cu100  1  0.167028  0.166258  0.619982  1
  Cu  Cu101  1  0.167825  0.766560  0.591564  1
  Cu  Cu102  1  0.166389  0.366348  0.563917  1
  Cu  Cu103  1  0.325410  0.017466  0.626903  1
  Cu  Cu104  1  0.336446  0.816734  0.682146  1
  Cu  Cu105  1  0.323135  0.417682  0.654142  1
  Cu  Cu106  1  0.674864  0.216553  0.640514  1
  Cu  Cu107  1  0.690106  0.015230  0.694981  1
  Cu  Cu108  1  0.679766  0.618220  0.669117  1
  Cu  Cu109  1  0.842444  0.166383  0.688589  1
  Cu  Cu110  1  0.839127  0.765541  0.661220  1
  Cu  Cu111  1  0.833638  0.366677  0.634075  1
  Cu  Cu112  1  0.837805  0.067020  0.647208  1
  Cu  Cu113  1  0.840690  0.864545  0.700415  1
  Cu  Cu114  1  0.829857  0.467479  0.674891  1
  Cu  Cu115  1  0.161368  0.266680  0.660707  1
  Cu  Cu116  1  0.169594  0.866392  0.633390  1
  Cu  Cu117  1  0.170595  0.668376  0.688106  1
  Cu  Cu118  1  0.152681  0.367501  0.700943  1
  Cu  Cu119  1  0.177291  0.965479  0.675536  1
  Cu  Cu120  1  0.167581  0.567098  0.647556  1
