pyclupan: 4-5-1
   1.00000000000000
     0.0000000000000000   -1.9525515775555602   -1.9525515775555602
     3.7063217847166166   -1.8878175870419767    1.8878175870419767
    -3.7063217847166166   -1.8878175870419767    1.8878175870419767
   Cu   Au
     3     1
Direct
  0.5000000000000000  0.5000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.5000000000000000
  0.0000000000000000  0.5000000000000000  0.5000000000000000
  0.0000000000000000  0.0000000000000000  0.0000000000000000

  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
  0.00000000E+00  0.00000000E+00  0.00000000E+00
