# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81382821
_cell_length_b   23.21627678
_cell_length_c   49.49049594
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Cu
_chemical_formula_sum   'Al72 Cu24'
_cell_volume   3233.04655547
_cell_formula_units_Z   24
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  0.502220  0.683338  0.284952  1
  Al  Al2  1  0.502220  1.001347  0.320182  1
  Al  Al3  1  0.502220  0.350181  0.302475  1
  Al  Al4  1  1.002220  0.751050  0.321702  1
  Al  Al5  1  1.002220  0.099709  0.303350  1
  Al  Al6  1  1.002220  0.452772  0.288192  1
  Al  Al7  1  1.002220  0.581994  0.300538  1
  Al  Al8  1  1.002220  0.928565  0.285378  1
  Al  Al9  1  1.002220  0.253416  0.322647  1
  Al  Al10  1  0.502220  0.652206  0.338698  1
  Al  Al11  1  0.502220  0.972976  0.376687  1
  Al  Al12  1  0.502220  0.316693  0.360609  1
  Al  Al13  1  1.002220  0.723416  0.376524  1
  Al  Al14  1  0.002220  0.070673  0.358231  1
  Al  Al15  1  1.002220  0.411735  0.342070  1
  Al  Al16  1  1.002220  0.561523  0.361346  1
  Al  Al17  1  0.002220  0.903472  0.339683  1
  Al  Al18  1  1.002220  0.217446  0.377368  1
  Al  Al19  1  0.502220  0.629609  0.397582  1
  Al  Al20  1  0.502220  0.940943  0.432368  1
  Al  Al21  1  0.502220  0.284859  0.415771  1
  Al  Al22  1  1.002220  0.698452  0.434203  1
  Al  Al23  1  1.002220  0.040037  0.414785  1
  Al  Al24  1  1.002220  0.383881  0.398680  1
  Al  Al25  1  1.002220  0.530373  0.415864  1
  Al  Al26  1  1.002220  0.873378  0.394384  1
  Al  Al27  1  1.002220  0.185776  0.432721  1
  Al  Al28  1  0.502220  0.599981  0.453032  1
  Al  Al29  1  0.502220  0.909793  0.487908  1
  Al  Al30  1  0.502220  0.254641  0.470973  1
  Al  Al31  1  0.002220  0.667366  0.490457  1
  Al  Al32  1  1.002220  0.008678  0.470436  1
  Al  Al33  1  1.002220  0.353485  0.453831  1
  Al  Al34  1  1.002220  0.502297  0.471660  1
  Al  Al35  1  1.002220  0.841515  0.449863  1
  Al  Al36  1  1.002220  0.156385  0.488460  1
  Al  Al37  1  0.502220  0.570735  0.509533  1
  Al  Al38  1  0.502220  0.880546  0.544408  1
  Al  Al39  1  0.502220  0.225887  0.526468  1
  Al  Al40  1  1.002220  0.639013  0.547578  1
  Al  Al41  1  1.002220  0.978231  0.525780  1
  Al  Al42  1  1.002220  0.324142  0.508981  1
  Al  Al43  1  0.002220  0.471849  0.527005  1
  Al  Al44  1  1.002220  0.813162  0.506984  1
  Al  Al45  1  1.002220  0.127043  0.543609  1
  Al  Al46  1  0.502220  0.539584  0.565072  1
  Al  Al47  1  0.502220  0.850919  0.599858  1
  Al  Al48  1  0.502220  0.195669  0.581670  1
  Al  Al49  1  1.002220  0.607150  0.603056  1
  Al  Al50  1  1.002220  0.950155  0.581577  1
  Al  Al51  1  0.002220  0.294752  0.564719  1
  Al  Al52  1  1.002220  0.440490  0.582656  1
  Al  Al53  1  1.002220  0.782076  0.563238  1
  Al  Al54  1  0.002220  0.096646  0.598760  1
  Al  Al55  1  0.502220  0.507552  0.620753  1
  Al  Al56  1  0.502220  0.828322  0.658742  1
  Al  Al57  1  0.502220  0.163834  0.636831  1
  Al  Al58  1  1.002220  0.577056  0.657758  1
  Al  Al59  1  0.002220  0.919005  0.636095  1
  Al  Al60  1  1.002220  0.263082  0.620072  1
  Al  Al61  1  1.002220  0.409855  0.639209  1
  Al  Al62  1  1.002220  0.757111  0.620916  1
  Al  Al63  1  0.002220  0.068793  0.655370  1
  Al  Al64  1  0.502220  0.479181  0.677259  1
  Al  Al65  1  0.502220  0.797190  0.712488  1
  Al  Al66  1  0.502220  0.130346  0.694965  1
  Al  Al67  1  1.002220  0.551963  0.712062  1
  Al  Al68  1  0.002220  0.898534  0.696902  1
  Al  Al69  1  1.002220  0.227112  0.674793  1
  Al  Al70  1  1.002220  0.380819  0.694090  1
  Al  Al71  1  1.002220  0.729478  0.675739  1
  Al  Al72  1  0.002220  0.027756  0.709248  1
  Cu  Cu73  1  0.502220  0.502272  0.326884  1
  Cu  Cu74  1  0.502220  0.840348  0.305200  1
  Cu  Cu75  1  0.502220  0.190991  0.289672  1
  Cu  Cu76  1  0.502220  0.471154  0.379239  1
  Cu  Cu77  1  0.502220  0.812926  0.358080  1
  Cu  Cu78  1  0.502220  0.160541  0.340315  1
  Cu  Cu79  1  0.502220  0.442518  0.435369  1
  Cu  Cu80  1  0.502220  0.783981  0.412619  1
  Cu  Cu81  1  0.502220  0.128069  0.395505  1
  Cu  Cu82  1  0.502220  0.413164  0.490281  1
  Cu  Cu83  1  0.502220  0.755206  0.470801  1
  Cu  Cu84  1  0.502220  0.097512  0.451834  1
  Cu  Cu85  1  0.502220  0.383015  0.545606  1
  Cu  Cu86  1  0.502220  0.725322  0.526639  1
  Cu  Cu87  1  0.502220  0.067364  0.507159  1
  Cu  Cu88  1  0.502220  0.352459  0.601935  1
  Cu  Cu89  1  0.502220  0.696547  0.584821  1
  Cu  Cu90  1  0.502220  0.038009  0.562071  1
  Cu  Cu91  1  0.502220  0.319986  0.657125  1
  Cu  Cu92  1  0.502220  0.667601  0.639360  1
  Cu  Cu93  1  0.502220  0.009374  0.618201  1
  Cu  Cu94  1  0.502220  0.289537  0.707768  1
  Cu  Cu95  1  0.502220  0.640180  0.692240  1
  Cu  Cu96  1  0.502220  0.978256  0.670556  1
