pyclupan: 3-1-1
   1.00000000000000
     0.0000000000000000    1.9590034100914333    1.9590034100914333
     3.6921790756863455    0.0000000000000000    0.0000000000000000
    -1.8460895378431728    1.9360125396508368   -3.8950159497422692
   Cu   Au
     2     1
Direct
  0.6735292131231674  0.6735292131231674  0.3470584262463348
  0.3264707868768326  0.3264707868768326  0.6529415737536652
  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
