pyclupan: 6-1-28
   1.00000000000000
     0.0000000000000000    1.9905479193423037    1.9905479193423039
     3.5433210458582232    0.0000000000000000    0.0000000000000000
    -0.0000000000000001    6.4467182808991756   -6.4467182808991756
   Cu   Au
     3     3
Direct
  0.5000000000000000  0.5000000000000000  0.5283114621649929
  0.0000000000000000  0.0000000000000000  0.6666666666666643
  0.5000000000000000  0.5000000000000000  0.8050218711683428
  0.0000000000000000  0.0000000000000000  0.9651483729592627
  0.5000000000000000  0.5000000000000000  0.1666666666666643
  0.0000000000000000  0.0000000000000000  0.3681849603740730

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