# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.05491465
_cell_length_b   6.87554426
_cell_length_c   47.08691543
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   124.00268312
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al50 Cu50'
_cell_volume   3235.4296295
_cell_formula_units_Z   50
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  0.508803  0.505970  0.284169  1
  Al  Al2  1  0.349798  0.145852  0.334874  1
  Al  Al3  1  0.667807  0.866088  0.334874  1
  Al  Al4  1  0.120020  0.225185  0.328204  1
  Al  Al5  1  0.897585  0.786755  0.328204  1
  Al  Al6  1  0.008803  0.505970  0.332036  1
  Al  Al7  1  0.852204  0.127657  0.296456  1
  Al  Al8  1  0.165401  0.884283  0.296456  1
  Al  Al9  1  0.634972  0.230113  0.282718  1
  Al  Al10  1  0.382633  0.781827  0.282718  1
  Al  Al11  1  0.508803  0.505970  0.375710  1
  Al  Al12  1  0.338767  0.139262  0.421357  1
  Al  Al13  1  0.678839  0.872678  0.421357  1
  Al  Al14  1  0.128058  0.227904  0.421247  1
  Al  Al15  1  0.889548  0.784036  0.421247  1
  Al  Al16  1  0.008803  0.505970  0.421579  1
  Al  Al17  1  0.841543  0.142632  0.376760  1
  Al  Al18  1  0.176063  0.869308  0.376760  1
  Al  Al19  1  0.622370  0.228033  0.374933  1
  Al  Al20  1  0.395235  0.783907  0.374933  1
  Al  Al21  1  0.508803  0.505970  0.467201  1
  Al  Al22  1  0.337558  0.138737  0.513122  1
  Al  Al23  1  0.680048  0.873203  0.513122  1
  Al  Al24  1  0.127096  0.231021  0.513087  1
  Al  Al25  1  0.890510  0.780919  0.513087  1
  Al  Al26  1  1.008803  0.505970  0.512962  1
  Al  Al27  1  0.837558  0.138737  0.467041  1
  Al  Al28  1  0.180048  0.873203  0.467041  1
  Al  Al29  1  0.627096  0.231021  0.467076  1
  Al  Al30  1  0.390510  0.780919  0.467076  1
  Al  Al31  1  0.508803  0.505970  0.558584  1
  Al  Al32  1  0.341543  0.142632  0.603403  1
  Al  Al33  1  0.676063  0.869308  0.603403  1
  Al  Al34  1  0.122370  0.228033  0.605229  1
  Al  Al35  1  0.895235  0.783907  0.605229  1
  Al  Al36  1  0.008803  0.505970  0.604453  1
  Al  Al37  1  0.838767  0.139262  0.558806  1
  Al  Al38  1  0.178839  0.872678  0.558806  1
  Al  Al39  1  0.628058  0.227904  0.558916  1
  Al  Al40  1  0.389548  0.784036  0.558916  1
  Al  Al41  1  0.508803  0.505970  0.648127  1
  Al  Al42  1  0.352204  0.127657  0.683707  1
  Al  Al43  1  0.665401  0.884283  0.683707  1
  Al  Al44  1  0.134972  0.230113  0.697445  1
  Al  Al45  1  0.882633  0.781827  0.697445  1
  Al  Al46  1  0.008803  0.505970  0.695994  1
  Al  Al47  1  0.849798  0.145852  0.645289  1
  Al  Al48  1  0.167807  0.866088  0.645289  1
  Al  Al49  1  0.620020  0.225185  0.651959  1
  Al  Al50  1  0.397585  0.786755  0.651959  1
  Cu  Cu51  1  0.008803  0.005970  0.278724  1
  Cu  Cu52  1  0.755384  0.687877  0.284119  1
  Cu  Cu53  1  0.262222  0.324062  0.284119  1
  Cu  Cu54  1  0.404777  0.558928  0.328621  1
  Cu  Cu55  1  0.612828  0.453011  0.328621  1
  Cu  Cu56  1  0.508803  1.005970  0.327191  1
  Cu  Cu57  1  0.254204  0.691820  0.330244  1
  Cu  Cu58  1  0.763401  0.320120  0.330244  1
  Cu  Cu59  1  0.909382  0.548942  0.284224  1
  Cu  Cu60  1  0.108224  0.462998  0.284224  1
  Cu  Cu61  1  0.008803  0.005970  0.374943  1
  Cu  Cu62  1  0.753955  0.696308  0.374754  1
  Cu  Cu63  1  0.263651  0.315632  0.374754  1
  Cu  Cu64  1  0.407157  0.562675  0.421251  1
  Cu  Cu65  1  0.610448  0.449265  0.421251  1
  Cu  Cu66  1  0.508803  0.005970  0.421236  1
  Cu  Cu67  1  0.253699  0.696314  0.421036  1
  Cu  Cu68  1  0.763906  0.315626  0.421036  1
  Cu  Cu69  1  0.905016  0.563416  0.376120  1
  Cu  Cu70  1  0.112590  0.448524  0.376120  1
  Cu  Cu71  1  0.008803  0.005970  0.467218  1
  Cu  Cu72  1  0.752865  0.696941  0.467275  1
  Cu  Cu73  1  0.264741  0.314999  0.467275  1
  Cu  Cu74  1  0.407395  0.563853  0.513079  1
  Cu  Cu75  1  0.610210  0.448087  0.513079  1
  Cu  Cu76  1  0.508803  1.005970  0.512945  1
  Cu  Cu77  1  0.252865  0.696941  0.512888  1
  Cu  Cu78  1  0.764741  0.314999  0.512888  1
  Cu  Cu79  1  0.907395  0.563853  0.467084  1
  Cu  Cu80  1  0.110210  0.448087  0.467084  1
  Cu  Cu81  1  0.008803  0.005970  0.558927  1
  Cu  Cu82  1  0.753699  0.696314  0.559127  1
  Cu  Cu83  1  0.263906  0.315626  0.559127  1
  Cu  Cu84  1  0.405016  0.563416  0.604043  1
  Cu  Cu85  1  0.612590  0.448524  0.604043  1
  Cu  Cu86  1  0.508803  0.005970  0.605220  1
  Cu  Cu87  1  0.253955  0.696308  0.605409  1
  Cu  Cu88  1  0.763651  0.315632  0.605409  1
  Cu  Cu89  1  0.907157  0.562675  0.558912  1
  Cu  Cu90  1  0.110448  0.449265  0.558912  1
  Cu  Cu91  1  0.008803  0.005970  0.652972  1
  Cu  Cu92  1  0.754204  0.691820  0.649919  1
  Cu  Cu93  1  0.263401  0.320120  0.649919  1
  Cu  Cu94  1  0.409382  0.548942  0.695939  1
  Cu  Cu95  1  0.608224  0.462998  0.695939  1
  Cu  Cu96  1  0.508803  0.005970  0.701439  1
  Cu  Cu97  1  0.255384  0.687877  0.696044  1
  Cu  Cu98  1  0.762222  0.324062  0.696044  1
  Cu  Cu99  1  0.904777  0.558928  0.651542  1
  Cu  Cu100  1  0.112828  0.453011  0.651542  1
