Mn1 O2                                  
   1.00000000000000     
     5.6033383357268240   -0.3845271783329601   -0.2277479656595776
     5.0391406100098441    2.4803929073102915   -0.2277479665382658
     5.0391406007715043    0.9923787197017904    2.2846006782936086
   Mn   O 
     1     2
Direct
  0.0023712926162955  0.0023712922885187  0.0023712923123488
  0.6095774259414094  0.6095774242175931  0.6095774243429188
  0.3951602814422948  0.3951602834938878  0.3951602833447324
 
  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
