pyclupan: 4-5-6
   1.00000000000000
     0.0000000000000000   -2.0398330408437433   -2.0398330408437433
     4.0177013702545308   -2.0151134712255994    2.0151134712255994
    -4.0177013702545308   -2.0151134712255994    2.0151134712255994
   Cu   Ag   Au
     1     1     2
Direct
  0.0000000000000000  0.5000000000000000  0.5000000000000000
  0.0000000000000000  0.0000000000000000  0.0000000000000000
  0.5000000000000000  0.5000000000000000  0.0000000000000000
  0.5000000000000000  0.0000000000000000  0.5000000000000000

  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
