pyclupan: 4-5-9
   1.00000000000000
     0.0000000000000000   -2.0828977727072613   -2.0828977727072613
     3.9768158038699855   -2.0115894765638469    2.0115894765638473
    -3.9768158038699855   -2.0115894765638469    2.0115894765638473
   Cu   Au
     1     3
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
