# generated using pymatgen
data_Al2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86877311
_cell_length_b   13.61260823
_cell_length_c   49.37291874
_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   'Al64 Cu32'
_cell_volume   3272.27417086
_cell_formula_units_Z   32
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  0.502194  0.582853  0.321501  1
  Al  Al2  1  0.501976  0.048221  0.387279  1
  Al  Al3  1  0.001980  0.816431  0.343391  1
  Al  Al4  1  1.001974  0.146485  0.384218  1
  Al  Al5  1  0.002151  0.651894  0.310786  1
  Al  Al6  1  0.002213  0.113262  0.311947  1
  Al  Al7  1  0.501987  0.822422  0.314818  1
  Al  Al8  1  0.502032  0.175414  0.343321  1
  Al  Al9  1  0.002000  0.920758  0.297499  1
  Al  Al10  1  1.001883  0.284744  0.336651  1
  Al  Al11  1  0.501987  0.497137  0.374685  1
  Al  Al12  1  0.502133  0.047357  0.297183  1
  Al  Al13  1  0.501994  0.836884  0.368713  1
  Al  Al14  1  0.501819  0.370776  0.333091  1
  Al  Al15  1  0.001988  0.484988  0.344187  1
  Al  Al16  1  0.001984  0.939366  0.391478  1
  Al  Al17  1  0.501977  0.453432  0.429621  1
  Al  Al18  1  0.501978  0.739235  0.502608  1
  Al  Al19  1  1.001976  0.534857  0.456786  1
  Al  Al20  1  0.001978  0.855988  0.501026  1
  Al  Al21  1  0.001991  0.539251  0.400137  1
  Al  Al22  1  0.001981  0.879987  0.447505  1
  Al  Al23  1  0.501985  0.646714  0.412242  1
  Al  Al24  1  0.501979  0.887916  0.470800  1
  Al  Al25  1  0.002000  0.745938  0.405791  1
  Al  Al26  1  1.001974  0.194141  0.446957  1
  Al  Al27  1  0.501975  0.196966  0.470938  1
  Al  Al28  1  0.501984  0.854823  0.419712  1
  Al  Al29  1  0.501977  0.541615  0.485435  1
  Al  Al30  1  0.501970  0.220876  0.417714  1
  Al  Al31  1  1.001975  0.364446  0.425181  1
  Al  Al32  1  0.001978  0.651114  0.507839  1
  Al  Al33  1  0.501977  0.150047  0.525351  1
  Al  Al34  1  0.501978  0.579325  0.598375  1
  Al  Al35  1  1.001977  0.282331  0.549169  1
  Al  Al36  1  0.001978  0.715072  0.617870  1
  Al  Al37  1  1.001977  0.213257  0.500923  1
  Al  Al38  1  0.001978  0.629850  0.567322  1
  Al  Al39  1  0.501977  0.350494  0.521080  1
  Al  Al40  1  0.501978  0.770321  0.593319  1
  Al  Al41  1  1.001977  0.456985  0.514032  1
  Al  Al42  1  0.001978  0.902982  0.581624  1
  Al  Al43  1  0.501978  0.962744  0.582305  1
  Al  Al44  1  0.501978  0.600752  0.540031  1
  Al  Al45  1  0.501977  0.288710  0.577865  1
  Al  Al46  1  0.501978  0.942376  0.526193  1
  Al  Al47  1  1.001977  0.020579  0.533921  1
  Al  Al48  1  0.001978  0.486795  0.606868  1
  Al  Al49  1  0.501977  0.026895  0.663922  1
  Al  Al50  1  0.501978  0.406627  0.681066  1
  Al  Al51  1  1.001977  0.107872  0.678840  1
  Al  Al52  1  0.001978  0.519162  0.697272  1
  Al  Al53  1  0.001978  0.068726  0.622752  1
  Al  Al54  1  0.001978  0.401149  0.654307  1
  Al  Al55  1  0.501978  0.132521  0.616884  1
  Al  Al56  1  0.501978  0.623742  0.694867  1
  Al  Al57  1  1.001977  0.275408  0.604895  1
  Al  Al58  1  0.001978  0.714970  0.676427  1
  Al  Al59  1  0.501977  0.844539  0.692967  1
  Al  Al60  1  0.501978  0.395254  0.623871  1
  Al  Al61  1  0.501977  0.186637  0.699594  1
  Al  Al62  1  0.501978  0.738933  0.647762  1
  Al  Al63  1  1.001977  0.911003  0.675557  1
  Al  Al64  1  0.001978  0.297135  0.700300  1
  Cu  Cu65  1  0.249967  0.662258  0.362719  1
  Cu  Cu66  1  0.258370  0.263512  0.291551  1
  Cu  Cu67  1  0.754057  0.662265  0.362726  1
  Cu  Cu68  1  0.744505  0.263169  0.291595  1
  Cu  Cu69  1  0.751038  0.989766  0.343484  1
  Cu  Cu70  1  0.759689  0.449221  0.293772  1
  Cu  Cu71  1  0.253045  0.989734  0.343483  1
  Cu  Cu72  1  0.244521  0.449511  0.293754  1
  Cu  Cu73  1  0.251652  0.365629  0.472791  1
  Cu  Cu74  1  0.256816  0.038039  0.433848  1
  Cu  Cu75  1  0.752302  0.365629  0.472791  1
  Cu  Cu76  1  0.747140  0.038038  0.433847  1
  Cu  Cu77  1  0.753285  0.707966  0.456634  1
  Cu  Cu78  1  0.750135  0.327921  0.380779  1
  Cu  Cu79  1  0.250677  0.707965  0.456634  1
  Cu  Cu80  1  0.253751  0.327916  0.380779  1
  Cu  Cu81  1  0.243824  0.122328  0.571553  1
  Cu  Cu82  1  0.249246  0.786929  0.546895  1
  Cu  Cu83  1  0.760131  0.122328  0.571553  1
  Cu  Cu84  1  0.754709  0.786929  0.546895  1
  Cu  Cu85  1  0.750749  0.449927  0.562322  1
  Cu  Cu86  1  0.759844  0.040863  0.485156  1
  Cu  Cu87  1  0.253206  0.449927  0.562322  1
  Cu  Cu88  1  0.244111  0.040862  0.485156  1
  Cu  Cu89  1  0.256653  0.007377  0.714999  1
  Cu  Cu90  1  0.255322  0.567276  0.648808  1
  Cu  Cu91  1  0.747302  0.007377  0.714999  1
  Cu  Cu92  1  0.748633  0.567276  0.648808  1
  Cu  Cu93  1  0.746132  0.239599  0.652315  1
  Cu  Cu94  1  0.749608  0.897688  0.629368  1
  Cu  Cu95  1  0.257823  0.239599  0.652315  1
  Cu  Cu96  1  0.254347  0.897687  0.629368  1
