pyclupan: 3-2-1
   1.00000000000000
     0.0000000000000000    1.9870964209335877    1.9870964209335877
     0.0000000000000000    1.9870964209335877   -1.9870964209335877
    -5.3396248427448967   -1.9870964209335877    0.0000000000000000
   Cu   Au
     2     1
Direct
  0.3238250811619210  0.3238250811619210  0.6476501623238349
  0.6761749188380790  0.6761749188380790  0.3523498376761651
  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
