pyclupan: 4-3-5
   1.00000000000000
     0.0000000000000000   -2.1593423094666235   -2.1593423094666235
     0.0000000000000000    2.1593423094666235   -2.1593423094666235
     6.4398989276564809    0.0000000000000000    0.0000000000000000
   Cu   Au
     2     2
Direct
  0.0000000000000000  0.0000000000000000  0.5246746127788455
  0.5000000000000000  0.5000000000000000  0.7253253872211545
  0.0000000000000000  0.0000000000000000  0.9705328317078994
  0.5000000000000000  0.5000000000000000  0.2794671682921006

  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
