# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.63558676
_cell_length_b   11.47128396
_cell_length_c   51.48549664
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.04653470
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2Cu
_chemical_formula_sum   'Al96 Cu48'
_cell_volume   4727.2870181
_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  0.412716  0.552523  0.327887  1
  Al  Al2  1  0.206655  0.138695  0.292397  1
  Al  Al3  1  0.176963  0.391945  0.290032  1
  Al  Al4  1  0.382847  0.804182  0.323415  1
  Al  Al5  1  0.121842  0.282621  0.335242  1
  Al  Al6  1  0.930058  0.898866  0.294908  1
  Al  Al7  1  0.101127  0.552265  0.327907  1
  Al  Al8  1  0.893342  0.138619  0.292395  1
  Al  Al9  1  0.808894  0.342564  0.310353  1
  Al  Al10  1  0.595594  0.928360  0.274695  1
  Al  Al11  1  0.773416  0.585261  0.308117  1
  Al  Al12  1  0.989638  0.017947  0.344479  1
  Al  Al13  1  0.311362  0.661309  0.280106  1
  Al  Al14  1  0.526158  0.091150  0.310608  1
  Al  Al15  1  0.495029  0.342345  0.310361  1
  Al  Al16  1  0.294076  0.927968  0.274696  1
  Al  Al17  1  0.826976  0.386072  0.406427  1
  Al  Al18  1  0.615467  0.966484  0.368820  1
  Al  Al19  1  0.594583  0.227980  0.364619  1
  Al  Al20  1  0.801268  0.641361  0.402227  1
  Al  Al21  1  0.543354  0.125635  0.411098  1
  Al  Al22  1  0.337263  0.713522  0.371312  1
  Al  Al23  1  0.520149  0.385780  0.406413  1
  Al  Al24  1  0.311930  0.966181  0.368816  1
  Al  Al25  1  0.221567  0.176116  0.387395  1
  Al  Al26  1  0.010751  0.755479  0.348246  1
  Al  Al27  1  0.197100  0.433057  0.383813  1
  Al  Al28  1  0.406094  0.851009  0.421411  1
  Al  Al29  1  0.728842  0.496677  0.355055  1
  Al  Al30  1  0.939631  0.918210  0.391302  1
  Al  Al31  1  0.915552  0.175792  0.387389  1
  Al  Al32  1  0.705701  0.755140  0.348241  1
  Al  Al33  1  0.243891  0.221226  0.483751  1
  Al  Al34  1  0.034189  0.802413  0.445241  1
  Al  Al35  1  0.011243  0.061304  0.441127  1
  Al  Al36  1  0.220024  0.478828  0.479476  1
  Al  Al37  1  0.962053  0.963018  0.488028  1
  Al  Al38  1  0.753283  0.545460  0.449394  1
  Al  Al39  1  0.938251  0.220880  0.483745  1
  Al  Al40  1  0.729159  0.802079  0.445230  1
  Al  Al41  1  0.639130  0.012192  0.464547  1
  Al  Al42  1  0.430332  0.594109  0.425877  1
  Al  Al43  1  0.615495  0.269795  0.460377  1
  Al  Al44  1  0.824584  0.687945  0.498749  1
  Al  Al45  1  0.148089  0.335098  0.430563  1
  Al  Al46  1  0.357809  0.754517  0.468573  1
  Al  Al47  1  0.334034  0.011895  0.464537  1
  Al  Al48  1  0.124718  0.593766  0.425866  1
  Al  Al49  1  0.661671  0.056902  0.560940  1
  Al  Al50  1  0.452569  0.638972  0.522283  1
  Al  Al51  1  0.428850  0.896485  0.518206  1
  Al  Al52  1  0.638019  0.314822  0.556370  1
  Al  Al53  1  0.380214  0.799367  0.565307  1
  Al  Al54  1  0.170995  0.380913  0.526396  1
  Al  Al55  1  0.356238  0.056555  0.560923  1
  Al  Al56  1  0.147403  0.638654  0.522276  1
  Al  Al57  1  0.057400  0.848633  0.541605  1
  Al  Al58  1  0.848164  0.429795  0.503056  1
  Al  Al59  1  0.033180  0.105160  0.537490  1
  Al  Al60  1  0.243217  0.525201  0.575484  1
  Al  Al61  1  0.566612  0.172143  0.507349  1
  Al  Al62  1  0.775194  0.589301  0.545598  1
  Al  Al63  1  0.752287  0.848307  0.541595  1
  Al  Al64  1  0.542571  0.429435  0.503041  1
  Al  Al65  1  0.081498  0.897437  0.638440  1
  Al  Al66  1  0.870152  0.473011  0.599337  1
  Al  Al67  1  0.847133  0.733046  0.595196  1
  Al  Al68  1  0.055982  0.150672  0.632361  1
  Al  Al69  1  0.797213  0.633367  0.641789  1
  Al  Al70  1  0.590255  0.219396  0.603450  1
  Al  Al71  1  0.776965  0.897086  0.638431  1
  Al  Al72  1  0.563836  0.472718  0.599322  1
  Al  Al73  1  0.474099  0.683241  0.617989  1
  Al  Al74  1  0.266709  0.265380  0.580531  1
  Al  Al75  1  0.449490  0.937736  0.615087  1
  Al  Al76  1  0.662387  0.363479  0.651859  1
  Al  Al77  1  0.985366  0.009671  0.584698  1
  Al  Al78  1  0.192088  0.423049  0.621977  1
  Al  Al79  1  0.170114  0.682930  0.617982  1
  Al  Al80  1  0.959649  0.265063  0.580523  1
  Al  Al81  1  0.489661  0.713014  0.712599  1
  Al  Al82  1  0.292388  0.309277  0.677993  1
  Al  Al83  1  0.266827  0.572444  0.670195  1
  Al  Al84  1  0.467351  0.973632  0.708082  1
  Al  Al85  1  0.216541  0.472688  0.716460  1
  Al  Al86  1  0.013211  0.065616  0.679898  1
  Al  Al87  1  0.184073  0.712908  0.712611  1
  Al  Al88  1  0.977516  0.309035  0.678006  1
  Al  Al89  1  0.895363  0.517258  0.694491  1
  Al  Al90  1  0.684671  0.097651  0.659158  1
  Al  Al91  1  0.857192  0.753306  0.692538  1
  Al  Al92  1  0.090194  0.219532  0.724119  1
  Al  Al93  1  0.404314  0.847774  0.662791  1
  Al  Al94  1  0.611853  0.262930  0.697810  1
  Al  Al95  1  0.582801  0.517093  0.694490  1
  Al  Al96  1  0.373883  0.097433  0.659155  1
  Cu  Cu97  1  0.617323  0.734834  0.298310  1
  Cu  Cu98  1  0.798944  0.151993  0.339619  1
  Cu  Cu99  1  0.494132  0.518267  0.279000  1
  Cu  Cu100  1  0.697267  0.942170  0.321053  1
  Cu  Cu101  1  0.985865  0.518287  0.278994  1
  Cu  Cu102  1  0.206238  0.942216  0.321024  1
  Cu  Cu103  1  0.078859  0.734753  0.298355  1
  Cu  Cu104  1  0.314245  0.151969  0.339648  1
  Cu  Cu105  1  0.022222  0.572293  0.377244  1
  Cu  Cu106  1  0.224615  0.988729  0.416534  1
  Cu  Cu107  1  0.914786  0.363657  0.358107  1
  Cu  Cu108  1  0.118204  0.779748  0.396933  1
  Cu  Cu109  1  0.409981  0.363713  0.358060  1
  Cu  Cu110  1  0.622670  0.779763  0.396882  1
  Cu  Cu111  1  0.511105  0.572265  0.377291  1
  Cu  Cu112  1  0.725208  0.988693  0.416582  1
  Cu  Cu113  1  0.435791  0.407588  0.454760  1
  Cu  Cu114  1  0.644021  0.825431  0.493385  1
  Cu  Cu115  1  0.329747  0.198621  0.435533  1
  Cu  Cu116  1  0.537605  0.616311  0.474163  1
  Cu  Cu117  1  0.830026  0.198621  0.435484  1
  Cu  Cu118  1  0.039888  0.616336  0.474112  1
  Cu  Cu119  1  0.932949  0.407562  0.454819  1
  Cu  Cu120  1  0.142575  0.825420  0.493435  1
  Cu  Cu121  1  0.853725  0.243088  0.532042  1
  Cu  Cu122  1  0.060863  0.661646  0.570262  1
  Cu  Cu123  1  0.746764  0.034480  0.512707  1
  Cu  Cu124  1  0.956138  0.451979  0.551257  1
  Cu  Cu125  1  0.248861  0.034514  0.512652  1
  Cu  Cu126  1  0.457021  0.452017  0.551204  1
  Cu  Cu127  1  0.350488  0.243058  0.532092  1
  Cu  Cu128  1  0.561909  0.661603  0.570304  1
  Cu  Cu129  1  0.276346  0.079071  0.609416  1
  Cu  Cu130  1  0.477308  0.496991  0.647081  1
  Cu  Cu131  1  0.163884  0.870761  0.589943  1
  Cu  Cu132  1  0.372645  0.285492  0.629354  1
  Cu  Cu133  1  0.668056  0.870819  0.589894  1
  Cu  Cu134  1  0.874101  0.285555  0.629312  1
  Cu  Cu135  1  0.763879  0.078991  0.609469  1
  Cu  Cu136  1  0.980866  0.496931  0.647118  1
  Cu  Cu137  1  0.706021  0.912950  0.688531  1
  Cu  Cu138  1  0.890798  0.345925  0.726631  1
  Cu  Cu139  1  0.585208  0.710175  0.665394  1
  Cu  Cu140  1  0.783761  0.123989  0.708741  1
  Cu  Cu141  1  0.086026  0.710243  0.665371  1
  Cu  Cu142  1  0.301240  0.124105  0.708700  1
  Cu  Cu143  1  0.167896  0.912931  0.688568  1
  Cu  Cu144  1  0.415742  0.345958  0.726630  1
