# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86491400
_cell_length_b   21.95366835
_cell_length_c   45.92487768
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al96 Cu48'
_cell_volume   4904.90132004
_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  0.529928  0.695322  0.338592  1
  Al  Al2  1  0.496114  0.325306  0.367326  1
  Al  Al3  1  0.524324  0.036563  0.305354  1
  Al  Al4  1  0.040005  0.711627  0.371059  1
  Al  Al5  1  0.975618  0.405273  0.381396  1
  Al  Al6  1  0.024500  0.104965  0.313779  1
  Al  Al7  1  0.050620  0.723132  0.309628  1
  Al  Al8  1  0.992893  0.355221  0.328587  1
  Al  Al9  1  0.035887  0.921051  0.367560  1
  Al  Al10  1  0.548278  0.785068  0.297576  1
  Al  Al11  1  0.480984  0.433382  0.342030  1
  Al  Al12  1  0.500851  0.981436  0.398489  1
  Al  Al13  1  0.044509  0.854408  0.303231  1
  Al  Al14  1  0.963983  0.490553  0.326172  1
  Al  Al15  1  0.028705  0.156789  0.365820  1
  Al  Al16  1  0.473352  0.559952  0.326947  1
  Al  Al17  1  0.480095  0.336532  0.303488  1
  Al  Al18  1  0.531239  0.920992  0.334280  1
  Al  Al19  1  0.538949  0.743449  0.393734  1
  Al  Al20  1  0.731115  0.535603  0.276637  1
  Al  Al21  1  0.531784  0.134694  0.343005  1
  Al  Al22  1  0.965562  0.610193  0.342453  1
  Al  Al23  1  0.994257  0.274795  0.376430  1
  Al  Al24  1  0.029985  0.975412  0.312515  1
  Al  Al25  1  0.475692  0.548114  0.427826  1
  Al  Al26  1  0.542275  0.141511  0.448937  1
  Al  Al27  1  0.542683  0.866721  0.389539  1
  Al  Al28  1  0.982671  0.602811  0.461376  1
  Al  Al29  1  0.978758  0.185054  0.488798  1
  Al  Al30  1  0.997773  0.995780  0.417723  1
  Al  Al31  1  0.976202  0.505961  0.422244  1
  Al  Al32  1  0.028615  0.195633  0.428160  1
  Al  Al33  1  0.005056  0.828025  0.481751  1
  Al  Al34  1  0.478722  0.661866  0.436787  1
  Al  Al35  1  0.476291  0.246498  0.473050  1
  Al  Al36  1  0.502909  0.901204  0.485886  1
  Al  Al37  1  0.989399  0.720153  0.431728  1
  Al  Al38  1  0.983979  0.301126  0.473633  1
  Al  Al39  1  0.005657  0.962675  0.487274  1
  Al  Al40  1  0.466820  0.375203  0.467191  1
  Al  Al41  1  0.509079  0.207017  0.392170  1
  Al  Al42  1  0.493795  0.794663  0.447702  1
  Al  Al43  1  0.481608  0.592044  0.492526  1
  Al  Al44  1  0.473807  0.426497  0.410525  1
  Al  Al45  1  0.523056  0.015056  0.455637  1
  Al  Al46  1  0.964727  0.398356  0.441751  1
  Al  Al47  1  0.032005  0.078148  0.461646  1
  Al  Al48  1  0.042421  0.820678  0.403005  1
  Al  Al49  1  0.380527  0.385449  0.555062  1
  Al  Al50  1  0.509841  0.960482  0.576405  1
  Al  Al51  1  0.509015  0.794761  0.510678  1
  Al  Al52  1  0.924282  0.460280  0.565373  1
  Al  Al53  1  1.001439  0.071214  0.590865  1
  Al  Al54  1  0.005590  0.770694  0.540300  1
  Al  Al55  1  0.027174  0.403965  0.508566  1
  Al  Al56  1  0.014399  0.990849  0.548465  1
  Al  Al57  1  0.010656  0.585138  0.605437  1
  Al  Al58  1  0.487528  0.482207  0.524918  1
  Al  Al59  1  0.509174  0.082715  0.559377  1
  Al  Al60  1  0.505374  0.730701  0.623230  1
  Al  Al61  1  0.982172  0.531743  0.513615  1
  Al  Al62  1  0.150048  0.174182  0.556275  1
  Al  Al63  1  0.002922  0.781274  0.607165  1
  Al  Al64  1  0.391331  0.275344  0.582723  1
  Al  Al65  1  0.503476  1.002626  0.516337  1
  Al  Al66  1  0.479208  0.683763  0.532154  1
  Al  Al67  1  0.420941  0.493691  0.594279  1
  Al  Al68  1  0.654627  0.212574  0.534254  1
  Al  Al69  1  0.505036  0.798093  0.570227  1
  Al  Al70  1  0.886890  0.324491  0.562447  1
  Al  Al71  1  1.002303  0.896798  0.588023  1
  Al  Al72  1  0.977110  0.649971  0.522979  1
  Al  Al73  1  0.706522  0.185647  0.645481  1
  Al  Al74  1  0.493064  0.787343  0.713869  1
  Al  Al75  1  0.514029  0.611522  0.615713  1
  Al  Al76  1  0.003346  0.259421  0.680257  1
  Al  Al77  1  0.996186  0.852285  0.705569  1
  Al  Al78  1  1.001371  0.675797  0.645657  1
  Al  Al79  1  0.906267  0.277076  0.615662  1
  Al  Al80  1  1.000971  0.881410  0.647263  1
  Al  Al81  1  0.960682  0.468439  0.689311  1
  Al  Al82  1  0.411888  0.297458  0.644175  1
  Al  Al83  1  0.495975  0.902313  0.676962  1
  Al  Al84  1  0.462350  0.506499  0.704234  1
  Al  Al85  1  0.879001  0.368138  0.656516  1
  Al  Al86  1  0.989108  0.976164  0.684323  1
  Al  Al87  1  0.062659  0.599364  0.704402  1
  Al  Al88  1  0.485452  0.038058  0.675231  1
  Al  Al89  1  0.499629  0.862192  0.619761  1
  Al  Al90  1  0.418582  0.443468  0.651760  1
  Al  Al91  1  0.510556  0.251193  0.701554  1
  Al  Al92  1  0.496382  0.082394  0.619642  1
  Al  Al93  1  0.491721  0.671955  0.678775  1
  Al  Al94  1  0.982690  0.076533  0.649663  1
  Al  Al95  1  0.990626  0.720489  0.704969  1
  Al  Al96  1  0.904040  0.479094  0.627552  1
  Cu  Cu97  1  0.443214  0.622118  0.381155  1
  Cu  Cu98  1  0.326903  0.460506  0.288919  1
  Cu  Cu99  1  0.259603  0.036929  0.357295  1
  Cu  Cu100  1  0.940666  0.615257  0.402403  1
  Cu  Cu101  1  0.820889  0.419410  0.284454  1
  Cu  Cu102  1  0.771069  0.029699  0.356606  1
  Cu  Cu103  1  0.791712  0.808025  0.347931  1
  Cu  Cu104  1  0.649455  0.649652  0.289940  1
  Cu  Cu105  1  0.764106  0.240097  0.328248  1
  Cu  Cu106  1  0.290195  0.808593  0.348097  1
  Cu  Cu107  1  0.151548  0.604626  0.288996  1
  Cu  Cu108  1  0.267484  0.238729  0.330679  1
  Cu  Cu109  1  0.236660  0.485861  0.470381  1
  Cu  Cu110  1  0.248110  0.308421  0.421990  1
  Cu  Cu111  1  0.266732  0.904051  0.437110  1
  Cu  Cu112  1  0.724083  0.483871  0.471471  1
  Cu  Cu113  1  0.729728  0.299510  0.423439  1
  Cu  Cu114  1  0.774151  0.898638  0.438633  1
  Cu  Cu115  1  0.736659  0.708642  0.481446  1
  Cu  Cu116  1  0.713930  0.520389  0.375226  1
  Cu  Cu117  1  0.753988  0.094706  0.402308  1
  Cu  Cu118  1  0.231654  0.711666  0.482480  1
  Cu  Cu119  1  0.219759  0.518476  0.374451  1
  Cu  Cu120  1  0.263338  0.093808  0.406343  1
  Cu  Cu121  1  0.158269  0.382501  0.607309  1
  Cu  Cu122  1  0.433705  0.121288  0.503605  1
  Cu  Cu123  1  0.240364  0.684683  0.580340  1
  Cu  Cu124  1  0.649967  0.383152  0.604994  1
  Cu  Cu125  1  0.934427  0.088210  0.520287  1
  Cu  Cu126  1  0.758846  0.685863  0.578404  1
  Cu  Cu127  1  0.725976  0.575200  0.559244  1
  Cu  Cu128  1  0.625135  0.325869  0.514333  1
  Cu  Cu129  1  0.761642  0.887344  0.535501  1
  Cu  Cu130  1  0.246129  0.576904  0.556239  1
  Cu  Cu131  1  0.179972  0.274086  0.524010  1
  Cu  Cu132  1  0.255808  0.886107  0.536235  1
  Cu  Cu133  1  0.275188  0.157346  0.673579  1
  Cu  Cu134  1  0.239762  0.977929  0.627015  1
  Cu  Cu135  1  0.238875  0.556811  0.656091  1
  Cu  Cu136  1  0.778272  0.138666  0.695031  1
  Cu  Cu137  1  0.737814  0.976027  0.628792  1
  Cu  Cu138  1  0.735965  0.567513  0.662840  1
  Cu  Cu139  1  0.804495  0.357175  0.710580  1
  Cu  Cu140  1  0.700315  0.177346  0.589037  1
  Cu  Cu141  1  0.745961  0.785615  0.664166  1
  Cu  Cu142  1  0.317114  0.366206  0.692470  1
  Cu  Cu143  1  0.204164  0.180009  0.616998  1
  Cu  Cu144  1  0.246602  0.784200  0.663893  1
