# generated using pymatgen
data_Al3Cu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16742609
_cell_length_b   15.17825372
_cell_length_c   48.53447399
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu2
_chemical_formula_sum   'Al63 Cu42'
_cell_volume   3806.68034121
_cell_formula_units_Z   21
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  -0.000000  0.666667  0.325000  1
  Al  Al2  1  1.000000  0.397436  0.304167  1
  Al  Al3  1  1.000000  0.128205  0.283333  1
  Al  Al4  1  0.353651  0.551282  0.290278  1
  Al  Al5  1  0.353651  0.089744  0.331944  1
  Al  Al6  1  0.353651  0.820513  0.311111  1
  Al  Al7  1  0.646348  0.512821  0.338889  1
  Al  Al8  1  0.646348  0.243590  0.318056  1
  Al  Al9  1  0.646348  0.974359  0.297222  1
  Al  Al10  1  1.000000  0.474359  0.387500  1
  Al  Al11  1  1.000000  0.205128  0.366667  1
  Al  Al12  1  1.000000  0.935897  0.345833  1
  Al  Al13  1  0.353651  0.358974  0.352778  1
  Al  Al14  1  0.353651  0.897436  0.394444  1
  Al  Al15  1  0.353651  0.628205  0.373611  1
  Al  Al16  1  0.646348  0.320513  0.401389  1
  Al  Al17  1  0.646348  0.051282  0.380556  1
  Al  Al18  1  0.646348  0.782051  0.359722  1
  Al  Al19  1  -0.000000  0.282051  0.450000  1
  Al  Al20  1  -0.000000  0.012821  0.429167  1
  Al  Al21  1  1.000000  0.743590  0.408333  1
  Al  Al22  1  0.353651  0.166667  0.415278  1
  Al  Al23  1  0.353651  0.705128  0.456944  1
  Al  Al24  1  0.353651  0.435897  0.436111  1
  Al  Al25  1  0.646348  0.128205  0.463889  1
  Al  Al26  1  0.646348  0.858974  0.443056  1
  Al  Al27  1  0.646348  0.589744  0.422222  1
  Al  Al28  1  -0.000000  0.089744  0.512500  1
  Al  Al29  1  -0.000000  0.820513  0.491667  1
  Al  Al30  1  -0.000000  0.551282  0.470833  1
  Al  Al31  1  0.353651  0.974359  0.477778  1
  Al  Al32  1  0.353651  0.512821  0.519444  1
  Al  Al33  1  0.353651  0.243590  0.498611  1
  Al  Al34  1  0.646348  0.935897  0.526389  1
  Al  Al35  1  0.646348  0.666667  0.505556  1
  Al  Al36  1  0.646348  0.397436  0.484722  1
  Al  Al37  1  -0.000000  0.897436  0.575000  1
  Al  Al38  1  1.000000  0.628205  0.554167  1
  Al  Al39  1  1.000000  0.358974  0.533333  1
  Al  Al40  1  0.353651  0.782051  0.540278  1
  Al  Al41  1  0.353651  0.320513  0.581944  1
  Al  Al42  1  0.353651  0.051282  0.561111  1
  Al  Al43  1  0.646348  0.743590  0.588889  1
  Al  Al44  1  0.646348  0.474359  0.568056  1
  Al  Al45  1  0.646348  0.205128  0.547222  1
  Al  Al46  1  -0.000000  0.705128  0.637500  1
  Al  Al47  1  -0.000000  0.435897  0.616667  1
  Al  Al48  1  -0.000000  0.166667  0.595833  1
  Al  Al49  1  0.353651  0.589744  0.602778  1
  Al  Al50  1  0.353651  0.128205  0.644444  1
  Al  Al51  1  0.353651  0.858974  0.623611  1
  Al  Al52  1  0.646348  0.551282  0.651389  1
  Al  Al53  1  0.646348  0.282051  0.630556  1
  Al  Al54  1  0.646348  0.012821  0.609722  1
  Al  Al55  1  -0.000000  0.512821  0.700000  1
  Al  Al56  1  1.000000  0.243590  0.679167  1
  Al  Al57  1  -0.000000  0.974359  0.658333  1
  Al  Al58  1  0.353651  0.397436  0.665278  1
  Al  Al59  1  0.353651  0.935897  0.706944  1
  Al  Al60  1  0.353651  0.666667  0.686111  1
  Al  Al61  1  0.646348  0.358974  0.713889  1
  Al  Al62  1  0.646348  0.089744  0.693056  1
  Al  Al63  1  0.646348  0.820513  0.672222  1
  Cu  Cu64  1  0.850979  0.551282  0.290278  1
  Cu  Cu65  1  0.850979  0.089744  0.331944  1
  Cu  Cu66  1  0.850979  0.820513  0.311111  1
  Cu  Cu67  1  0.149021  0.512821  0.338889  1
  Cu  Cu68  1  0.149021  0.243590  0.318056  1
  Cu  Cu69  1  0.149021  0.974359  0.297222  1
  Cu  Cu70  1  0.850979  0.358974  0.352778  1
  Cu  Cu71  1  0.850979  0.897436  0.394444  1
  Cu  Cu72  1  0.850979  0.628205  0.373611  1
  Cu  Cu73  1  0.149021  0.320513  0.401389  1
  Cu  Cu74  1  0.149021  0.051282  0.380556  1
  Cu  Cu75  1  0.149021  0.782051  0.359722  1
  Cu  Cu76  1  0.850979  0.166667  0.415278  1
  Cu  Cu77  1  0.850979  0.705128  0.456944  1
  Cu  Cu78  1  0.850979  0.435897  0.436111  1
  Cu  Cu79  1  0.149021  0.128205  0.463889  1
  Cu  Cu80  1  0.149021  0.858974  0.443056  1
  Cu  Cu81  1  0.149021  0.589744  0.422222  1
  Cu  Cu82  1  0.850979  0.974359  0.477778  1
  Cu  Cu83  1  0.850979  0.512821  0.519444  1
  Cu  Cu84  1  0.850979  0.243590  0.498611  1
  Cu  Cu85  1  0.149021  0.935897  0.526389  1
  Cu  Cu86  1  0.149021  0.666667  0.505556  1
  Cu  Cu87  1  0.149021  0.397436  0.484722  1
  Cu  Cu88  1  0.850979  0.782051  0.540278  1
  Cu  Cu89  1  0.850979  0.320513  0.581944  1
  Cu  Cu90  1  0.850979  0.051282  0.561111  1
  Cu  Cu91  1  0.149021  0.743590  0.588889  1
  Cu  Cu92  1  0.149021  0.474359  0.568056  1
  Cu  Cu93  1  0.149021  0.205128  0.547222  1
  Cu  Cu94  1  0.850979  0.589744  0.602778  1
  Cu  Cu95  1  0.850979  0.128205  0.644444  1
  Cu  Cu96  1  0.850979  0.858974  0.623611  1
  Cu  Cu97  1  0.149021  0.551282  0.651389  1
  Cu  Cu98  1  0.149021  0.282051  0.630556  1
  Cu  Cu99  1  0.149021  0.012821  0.609722  1
  Cu  Cu100  1  0.850979  0.397436  0.665278  1
  Cu  Cu101  1  0.850979  0.935897  0.706944  1
  Cu  Cu102  1  0.850979  0.666667  0.686111  1
  Cu  Cu103  1  0.149021  0.358974  0.713889  1
  Cu  Cu104  1  0.149021  0.089744  0.693056  1
  Cu  Cu105  1  0.149021  0.820513  0.672222  1
