Mn1 O2                                  
   1.00000000000000     
     5.3918895884988043   -0.4066264753770466   -0.2408362561130943
     4.8351008725893561    2.4206679224202503   -0.2408362263815332
     4.8351008756162202    0.9521966054669696    2.2385158941811429
   Mn   O 
     1     2
Direct
  0.0013738232256439  0.0013738232195148  0.0013738232199944
  0.6060257180751344  0.6060257179079456  0.6060257179210110
  0.3967114586992234  0.3967114588725414  0.3967114588589966
 
  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
