# generated using pymatgen
data_Al3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82228834
_cell_length_b   22.56323455
_cell_length_c   48.00310022
_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   3056.83520651
_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  0.500714  0.101340  0.294960  1
  Al  Al2  1  0.500714  0.420770  0.314020  1
  Al  Al3  1  0.500714  0.768033  0.277436  1
  Al  Al4  1  1.000714  0.202462  0.274924  1
  Al  Al5  1  1.000714  0.518042  0.292101  1
  Al  Al6  1  1.000714  0.846016  0.311425  1
  Al  Al7  1  1.000714  0.017281  0.263929  1
  Al  Al8  1  1.000714  0.333799  0.282681  1
  Al  Al9  1  0.000714  0.678051  0.303591  1
  Al  Al10  1  0.500714  0.078150  0.356874  1
  Al  Al11  1  0.500714  0.411391  0.376405  1
  Al  Al12  1  0.500714  0.755705  0.337560  1
  Al  Al13  1  1.000714  0.171285  0.333305  1
  Al  Al14  1  0.000714  0.501307  0.349590  1
  Al  Al15  1  0.000714  0.835498  0.371578  1
  Al  Al16  1  1.000714  1.005290  0.320696  1
  Al  Al17  1  1.000714  0.333005  0.342983  1
  Al  Al18  1  1.000714  0.658718  0.360942  1
  Al  Al19  1  0.500714  0.062935  0.415361  1
  Al  Al20  1  0.500714  0.394502  0.435165  1
  Al  Al21  1  0.500714  0.738353  0.395786  1
  Al  Al22  1  0.000714  0.158659  0.391512  1
  Al  Al23  1  0.000714  0.490032  0.410669  1
  Al  Al24  1  1.000714  0.815845  0.431085  1
  Al  Al25  1  1.000714  0.982787  0.380415  1
  Al  Al26  1  1.000714  0.314823  0.400748  1
  Al  Al27  1  1.000714  0.640443  0.418950  1
  Al  Al28  1  0.500714  0.049317  0.474787  1
  Al  Al29  1  0.500714  0.377032  0.493933  1
  Al  Al30  1  0.500714  0.719602  0.454373  1
  Al  Al31  1  1.000714  0.143339  0.449859  1
  Al  Al32  1  1.000714  0.473032  0.470020  1
  Al  Al33  1  0.000714  0.799492  0.489480  1
  Al  Al34  1  1.000714  0.969836  0.440440  1
  Al  Al35  1  1.000714  0.298185  0.459153  1
  Al  Al36  1  1.000714  0.625874  0.479095  1
  Al  Al37  1  0.500714  0.034289  0.534192  1
  Al  Al38  1  0.500714  0.359870  0.552633  1
  Al  Al39  1  0.500714  0.705241  0.513789  1
  Al  Al40  1  1.000714  0.128376  0.509190  1
  Al  Al41  1  1.000714  0.456038  0.528726  1
  Al  Al42  1  0.000714  0.784787  0.548530  1
  Al  Al43  1  1.000714  0.954808  0.499317  1
  Al  Al44  1  0.000714  0.281031  0.517936  1
  Al  Al45  1  1.000714  0.610966  0.538229  1
  Al  Al46  1  0.500714  0.016579  0.592959  1
  Al  Al47  1  0.500714  0.343529  0.611167  1
  Al  Al48  1  0.500714  0.690765  0.573049  1
  Al  Al49  1  1.000714  0.113464  0.569197  1
  Al  Al50  1  0.000714  0.439989  0.587007  1
  Al  Al51  1  0.000714  0.769749  0.608232  1
  Al  Al52  1  0.000714  0.938068  0.557931  1
  Al  Al53  1  1.000714  0.264398  0.577209  1
  Al  Al54  1  1.000714  0.595203  0.596723  1
  Al  Al55  1  0.500714  1.000705  0.651656  1
  Al  Al56  1  0.500714  0.334932  0.672380  1
  Al  Al57  1  0.500714  0.673880  0.631871  1
  Al  Al58  1  1.000714  0.096294  0.627726  1
  Al  Al59  1  0.000714  0.422489  0.644548  1
  Al  Al60  1  1.000714  0.748687  0.667361  1
  Al  Al61  1  1.000714  0.920376  0.617395  1
  Al  Al62  1  1.000714  0.252697  0.637617  1
  Al  Al63  1  1.000714  0.580217  0.655604  1
  Al  Al64  1  0.500714  0.986370  0.710804  1
  Al  Al65  1  0.500714  0.317027  0.729118  1
  Al  Al66  1  0.500714  0.652407  0.693225  1
  Al  Al67  1  1.000714  0.078898  0.686050  1
  Al  Al68  1  1.000714  0.416486  0.707463  1
  Al  Al69  1  1.000714  0.736862  0.724065  1
  Al  Al70  1  0.000714  0.908403  0.676714  1
  Al  Al71  1  1.000714  0.238452  0.695372  1
  Al  Al72  1  1.000714  0.551398  0.713611  1
  Cu  Cu73  1  0.500714  0.932076  0.288883  1
  Cu  Cu74  1  0.500714  0.258988  0.312971  1
  Cu  Cu75  1  0.500714  0.607508  0.272782  1
  Cu  Cu76  1  0.500714  0.917910  0.344695  1
  Cu  Cu77  1  0.500714  0.244376  0.367199  1
  Cu  Cu78  1  0.500714  0.588820  0.326815  1
  Cu  Cu79  1  0.500714  0.900795  0.406851  1
  Cu  Cu80  1  0.500714  0.228864  0.425171  1
  Cu  Cu81  1  0.500714  0.571478  0.383927  1
  Cu  Cu82  1  0.500714  0.885148  0.465327  1
  Cu  Cu83  1  0.500714  0.212599  0.483693  1
  Cu  Cu84  1  0.500714  0.557603  0.445057  1
  Cu  Cu85  1  0.500714  0.869198  0.523520  1
  Cu  Cu86  1  0.500714  0.196544  0.543106  1
  Cu  Cu87  1  0.500714  0.541556  0.504328  1
  Cu  Cu88  1  0.500714  0.853299  0.582649  1
  Cu  Cu89  1  0.500714  0.182367  0.603774  1
  Cu  Cu90  1  0.500714  0.525636  0.562718  1
  Cu  Cu91  1  0.500714  0.836380  0.643296  1
  Cu  Cu92  1  0.500714  0.166226  0.661508  1
  Cu  Cu93  1  0.500714  0.510060  0.620985  1
  Cu  Cu94  1  0.500714  0.822081  0.699062  1
  Cu  Cu95  1  0.500714  0.151799  0.716412  1
  Cu  Cu96  1  0.500714  0.492036  0.676440  1
