pyclupan: 4-0-11
   1.00000000000000
    -2.0505619033772833    0.0000000000000000   -2.0505619033772833
     2.0505619033772833   -2.0505619033772833    0.0000000000000000
    -5.9703413091563293   -3.9197794057790438    5.9703413091563293
   Cu   Au
     1     3
Direct
  0.7500000000000000  0.5000000000000000  0.2500000000000000
  0.0066519965171565  0.0133039930343131  0.0199559895514696
  0.2500000000000000  0.5000000000000000  0.7500000000000000
  0.4933480034828435  0.9866960069656869  0.4800440104485304

  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
