# generated using pymatgen
data_AlCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34214859
_cell_length_b   13.08030862
_cell_length_c   51.10745823
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu3
_chemical_formula_sum   'Al48 Cu144'
_cell_volume   5290.55762924
_cell_formula_units_Z   48
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  0.748967  0.557959  0.310261  1
  Al  Al2  1  0.527611  0.113870  0.275462  1
  Al  Al3  1  0.648803  0.857033  0.284938  1
  Al  Al4  1  0.862031  0.284368  0.327837  1
  Al  Al5  1  0.148803  0.857033  0.284938  1
  Al  Al6  1  0.362031  0.284368  0.327837  1
  Al  Al7  1  0.248967  0.557959  0.310261  1
  Al  Al8  1  0.027611  0.113870  0.275462  1
  Al  Al9  1  0.189613  0.441720  0.390794  1
  Al  Al10  1  0.967491  0.996225  0.353048  1
  Al  Al11  1  0.084622  0.730436  0.367206  1
  Al  Al12  1  0.304999  0.172343  0.403686  1
  Al  Al13  1  0.584622  0.730436  0.367206  1
  Al  Al14  1  0.804999  0.172343  0.403686  1
  Al  Al15  1  0.689613  0.441720  0.390794  1
  Al  Al16  1  0.467491  0.996225  0.353048  1
  Al  Al17  1  0.630888  0.325391  0.467969  1
  Al  Al18  1  0.411612  0.886257  0.430672  1
  Al  Al19  1  0.524707  0.612603  0.443118  1
  Al  Al20  1  0.746713  0.056903  0.482062  1
  Al  Al21  1  0.024707  0.612603  0.443118  1
  Al  Al22  1  0.246713  0.056903  0.482062  1
  Al  Al23  1  0.130888  0.325391  0.467969  1
  Al  Al24  1  0.911612  0.886257  0.430672  1
  Al  Al25  1  0.073940  0.212382  0.546018  1
  Al  Al26  1  0.852812  0.769716  0.507251  1
  Al  Al27  1  0.967444  0.498979  0.520478  1
  Al  Al28  1  0.189599  0.943599  0.560024  1
  Al  Al29  1  0.467444  0.498979  0.520478  1
  Al  Al30  1  0.689599  0.943599  0.560024  1
  Al  Al31  1  0.573940  0.212382  0.546018  1
  Al  Al32  1  0.352812  0.769716  0.507251  1
  Al  Al33  1  0.515039  0.096198  0.624043  1
  Al  Al34  1  0.295335  0.655959  0.583794  1
  Al  Al35  1  0.408770  0.382696  0.597365  1
  Al  Al36  1  0.632243  0.830580  0.638276  1
  Al  Al37  1  0.908770  0.382696  0.597365  1
  Al  Al38  1  0.132243  0.830580  0.638276  1
  Al  Al39  1  0.015039  0.096198  0.624043  1
  Al  Al40  1  0.795335  0.655959  0.583794  1
  Al  Al41  1  0.960294  0.988387  0.702803  1
  Al  Al42  1  0.735609  0.538913  0.661032  1
  Al  Al43  1  0.852789  0.273321  0.675033  1
  Al  Al44  1  0.063582  0.697916  0.714276  1
  Al  Al45  1  0.352789  0.273321  0.675033  1
  Al  Al46  1  0.563582  0.697916  0.714276  1
  Al  Al47  1  0.460294  0.988387  0.702803  1
  Al  Al48  1  0.235609  0.538913  0.661032  1
  Cu  Cu49  1  0.034793  0.627822  0.274329  1
  Cu  Cu50  1  0.252758  0.065264  0.307190  1
  Cu  Cu51  1  0.942724  0.945270  0.304902  1
  Cu  Cu52  1  0.166069  0.392958  0.341998  1
  Cu  Cu53  1  0.668027  0.896751  0.335559  1
  Cu  Cu54  1  0.443762  0.447364  0.297159  1
  Cu  Cu55  1  0.360221  0.781186  0.334546  1
  Cu  Cu56  1  0.135786  0.331294  0.294643  1
  Cu  Cu57  1  0.063616  0.687377  0.318884  1
  Cu  Cu58  1  0.838517  0.236149  0.279281  1
  Cu  Cu59  1  0.339847  0.738638  0.286751  1
  Cu  Cu60  1  0.551475  0.163026  0.323246  1
  Cu  Cu61  1  0.860221  0.781186  0.334546  1
  Cu  Cu62  1  0.635786  0.331294  0.294643  1
  Cu  Cu63  1  0.563616  0.687377  0.318884  1
  Cu  Cu64  1  0.338517  0.236149  0.279281  1
  Cu  Cu65  1  0.839847  0.738638  0.286751  1
  Cu  Cu66  1  0.051475  0.163026  0.323246  1
  Cu  Cu67  1  0.534793  0.627822  0.274329  1
  Cu  Cu68  1  0.752758  0.065264  0.307190  1
  Cu  Cu69  1  0.442724  0.945270  0.304902  1
  Cu  Cu70  1  0.666069  0.392958  0.341998  1
  Cu  Cu71  1  0.168027  0.896751  0.335559  1
  Cu  Cu72  1  0.943762  0.447364  0.297159  1
  Cu  Cu73  1  0.474294  0.509547  0.345210  1
  Cu  Cu74  1  0.693252  0.948373  0.385760  1
  Cu  Cu75  1  0.384768  0.831263  0.382885  1
  Cu  Cu76  1  0.604830  0.272462  0.419572  1
  Cu  Cu77  1  0.110146  0.782942  0.415465  1
  Cu  Cu78  1  0.890477  0.342956  0.375249  1
  Cu  Cu79  1  0.799281  0.661505  0.409325  1
  Cu  Cu80  1  0.580231  0.222446  0.370429  1
  Cu  Cu81  1  0.497960  0.558747  0.394190  1
  Cu  Cu82  1  0.276466  0.114660  0.355672  1
  Cu  Cu83  1  0.773251  0.607738  0.360454  1
  Cu  Cu84  1  0.995608  0.053310  0.400914  1
  Cu  Cu85  1  0.299281  0.661505  0.409325  1
  Cu  Cu86  1  0.080231  0.222446  0.370429  1
  Cu  Cu87  1  0.997960  0.558747  0.394190  1
  Cu  Cu88  1  0.776466  0.114660  0.355672  1
  Cu  Cu89  1  0.273251  0.607738  0.360454  1
  Cu  Cu90  1  0.495608  0.053310  0.400914  1
  Cu  Cu91  1  0.974294  0.509547  0.345210  1
  Cu  Cu92  1  0.193252  0.948373  0.385760  1
  Cu  Cu93  1  0.884768  0.831263  0.382885  1
  Cu  Cu94  1  0.104830  0.272462  0.419572  1
  Cu  Cu95  1  0.610146  0.782942  0.415465  1
  Cu  Cu96  1  0.390477  0.342956  0.375249  1
  Cu  Cu97  1  0.914273  0.391343  0.424295  1
  Cu  Cu98  1  0.136273  0.835746  0.463883  1
  Cu  Cu99  1  0.826137  0.715720  0.458496  1
  Cu  Cu100  1  0.047410  0.158681  0.497602  1
  Cu  Cu101  1  0.551802  0.667471  0.491780  1
  Cu  Cu102  1  0.330087  0.223597  0.452414  1
  Cu  Cu103  1  0.242357  0.548609  0.486929  1
  Cu  Cu104  1  0.021424  0.106257  0.448764  1
  Cu  Cu105  1  0.940465  0.444838  0.472211  1
  Cu  Cu106  1  0.720882  0.004981  0.433471  1
  Cu  Cu107  1  0.215532  0.493956  0.439201  1
  Cu  Cu108  1  0.437670  0.938675  0.478884  1
  Cu  Cu109  1  0.742357  0.548609  0.486929  1
  Cu  Cu110  1  0.521424  0.106257  0.448764  1
  Cu  Cu111  1  0.440465  0.444838  0.472211  1
  Cu  Cu112  1  0.220882  0.004981  0.433471  1
  Cu  Cu113  1  0.715532  0.493956  0.439201  1
  Cu  Cu114  1  0.937670  0.938675  0.478884  1
  Cu  Cu115  1  0.414273  0.391343  0.424295  1
  Cu  Cu116  1  0.636273  0.835746  0.463883  1
  Cu  Cu117  1  0.326137  0.715720  0.458496  1
  Cu  Cu118  1  0.547410  0.158681  0.497602  1
  Cu  Cu119  1  0.051802  0.667471  0.491780  1
  Cu  Cu120  1  0.830087  0.223597  0.452414  1
  Cu  Cu121  1  0.356292  0.276356  0.501366  1
  Cu  Cu122  1  0.578248  0.720602  0.541134  1
  Cu  Cu123  1  0.268301  0.600958  0.535710  1
  Cu  Cu124  1  0.490277  0.045317  0.575418  1
  Cu  Cu125  1  0.993491  0.551831  0.568897  1
  Cu  Cu126  1  0.773182  0.110664  0.530469  1
  Cu  Cu127  1  0.684028  0.432976  0.564106  1
  Cu  Cu128  1  0.464252  0.992827  0.526511  1
  Cu  Cu129  1  0.382788  0.330414  0.549081  1
  Cu  Cu130  1  0.162564  0.889348  0.511744  1
  Cu  Cu131  1  0.657783  0.379395  0.516264  1
  Cu  Cu132  1  0.880538  0.825277  0.555828  1
  Cu  Cu133  1  0.184028  0.432976  0.564106  1
  Cu  Cu134  1  0.964252  0.992827  0.526511  1
  Cu  Cu135  1  0.882788  0.330414  0.549081  1
  Cu  Cu136  1  0.662564  0.889348  0.511744  1
  Cu  Cu137  1  0.157783  0.379395  0.516264  1
  Cu  Cu138  1  0.380538  0.825277  0.555828  1
  Cu  Cu139  1  0.856292  0.276356  0.501366  1
  Cu  Cu140  1  0.078248  0.720602  0.541134  1
  Cu  Cu141  1  0.768301  0.600958  0.535710  1
  Cu  Cu142  1  0.990277  0.045317  0.575418  1
  Cu  Cu143  1  0.493491  0.551831  0.568897  1
  Cu  Cu144  1  0.273182  0.110664  0.530469  1
  Cu  Cu145  1  0.799127  0.163021  0.579300  1
  Cu  Cu146  1  0.020144  0.605864  0.617326  1
  Cu  Cu147  1  0.710398  0.486552  0.612569  1
  Cu  Cu148  1  0.931956  0.930379  0.654469  1
  Cu  Cu149  1  0.435805  0.438683  0.645136  1
  Cu  Cu150  1  0.215594  0.996908  0.608443  1
  Cu  Cu151  1  0.126983  0.320995  0.642417  1
  Cu  Cu152  1  0.906875  0.879373  0.604289  1
  Cu  Cu153  1  0.824514  0.215553  0.627246  1
  Cu  Cu154  1  0.605459  0.776359  0.589421  1
  Cu  Cu155  1  0.099623  0.264295  0.594651  1
  Cu  Cu156  1  0.321554  0.709042  0.631991  1
  Cu  Cu157  1  0.626983  0.320995  0.642417  1
  Cu  Cu158  1  0.406875  0.879373  0.604289  1
  Cu  Cu159  1  0.324514  0.215553  0.627246  1
  Cu  Cu160  1  0.105459  0.776359  0.589421  1
  Cu  Cu161  1  0.599623  0.264295  0.594651  1
  Cu  Cu162  1  0.821554  0.709042  0.631991  1
  Cu  Cu163  1  0.299127  0.163021  0.579300  1
  Cu  Cu164  1  0.520144  0.605864  0.617326  1
  Cu  Cu165  1  0.210398  0.486552  0.612569  1
  Cu  Cu166  1  0.431956  0.930379  0.654469  1
  Cu  Cu167  1  0.935805  0.438683  0.645136  1
  Cu  Cu168  1  0.715594  0.996908  0.608443  1
  Cu  Cu169  1  0.240088  0.046884  0.657930  1
  Cu  Cu170  1  0.460401  0.489722  0.693497  1
  Cu  Cu171  1  0.153033  0.374609  0.692570  1
  Cu  Cu172  1  0.367806  0.807712  0.725902  1
  Cu  Cu173  1  0.876799  0.323053  0.722559  1
  Cu  Cu174  1  0.654916  0.877547  0.687986  1
  Cu  Cu175  1  0.568784  0.206511  0.718695  1
  Cu  Cu176  1  0.343853  0.755966  0.679775  1
  Cu  Cu177  1  0.270112  0.108598  0.705069  1
  Cu  Cu178  1  0.045200  0.658234  0.665029  1
  Cu  Cu179  1  0.542407  0.152036  0.671793  1
  Cu  Cu180  1  0.755941  0.581745  0.710185  1
  Cu  Cu181  1  0.068784  0.206511  0.718695  1
  Cu  Cu182  1  0.843853  0.755966  0.679775  1
  Cu  Cu183  1  0.770112  0.108598  0.705069  1
  Cu  Cu184  1  0.545200  0.658234  0.665029  1
  Cu  Cu185  1  0.042407  0.152036  0.671793  1
  Cu  Cu186  1  0.255941  0.581745  0.710185  1
  Cu  Cu187  1  0.740088  0.046884  0.657930  1
  Cu  Cu188  1  0.960401  0.489722  0.693497  1
  Cu  Cu189  1  0.653033  0.374609  0.692570  1
  Cu  Cu190  1  0.867806  0.807712  0.725902  1
  Cu  Cu191  1  0.376799  0.323053  0.722559  1
  Cu  Cu192  1  0.154916  0.877547  0.687986  1
