# generated using pymatgen
data_AlCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24486016
_cell_length_b   6.62678188
_cell_length_c   52.00904583
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCu
_chemical_formula_sum   'Al20 Cu20'
_cell_volume   1463.00210039
_cell_formula_units_Z   20
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  0.994211  0.245326  0.388988  1
  Al  Al2  1  0.494211  0.721933  0.429436  1
  Al  Al3  1  0.494211  0.245546  0.351449  1
  Al  Al4  1  0.494211  0.451466  0.467927  1
  Al  Al5  1  0.494211  0.497285  0.312061  1
  Al  Al6  1  0.494211  0.974782  0.313447  1
  Al  Al7  1  -0.005789  0.967949  0.352079  1
  Al  Al8  1  -0.005789  0.725396  0.467382  1
  Al  Al9  1  0.994211  0.718671  0.392279  1
  Al  Al10  1  0.994211  0.997937  0.429068  1
  Al  Al11  1  0.994211  0.473910  0.582302  1
  Al  Al12  1  0.494211  0.945231  0.623084  1
  Al  Al13  1  0.494211  0.475157  0.544827  1
  Al  Al14  1  0.494211  0.678624  0.661731  1
  Al  Al15  1  0.494211  0.732006  0.505013  1
  Al  Al16  1  0.494211  0.200540  0.507884  1
  Al  Al17  1  0.994211  0.198971  0.545303  1
  Al  Al18  1  -0.005789  0.959355  0.661259  1
  Al  Al19  1  0.994211  0.939553  0.584384  1
  Al  Al20  1  -0.005789  0.216580  0.621258  1
  Cu  Cu21  1  -0.005789  0.243005  0.315880  1
  Cu  Cu22  1  -0.005789  0.502461  0.350937  1
  Cu  Cu23  1  0.994211  0.454620  0.430866  1
  Cu  Cu24  1  0.494211  0.233514  0.426789  1
  Cu  Cu25  1  0.494211  0.483906  0.390537  1
  Cu  Cu26  1  0.494211  0.979587  0.389957  1
  Cu  Cu27  1  0.494211  0.994836  0.465799  1
  Cu  Cu28  1  0.494211  0.723432  0.353025  1
  Cu  Cu29  1  -0.005789  0.730839  0.313244  1
  Cu  Cu30  1  -0.005789  0.217552  0.469689  1
  Cu  Cu31  1  0.994211  0.466113  0.506772  1
  Cu  Cu32  1  0.994211  0.725095  0.542596  1
  Cu  Cu33  1  -0.005789  0.688430  0.623977  1
  Cu  Cu34  1  0.494211  0.462054  0.620299  1
  Cu  Cu35  1  0.494211  0.707833  0.584206  1
  Cu  Cu36  1  0.494211  0.205698  0.583430  1
  Cu  Cu37  1  0.494211  0.225790  0.658020  1
  Cu  Cu38  1  0.494211  0.947242  0.546981  1
  Cu  Cu39  1  0.994211  0.967153  0.505646  1
  Cu  Cu40  1  -0.005789  0.442931  0.660540  1
