Mn1 O2                                  
   1.00000000000000     
     4.6418734779453823   -1.4562377675850227   -0.0727779030466728
     4.6418734779453823    1.4562377675850227   -0.0727779030466728
     4.2240243272974851    0.0000000000000000    2.4146472724355470
   Mn   O 
     1     2
Direct
  0.0000000000000000  0.0000000000000000 -0.0000000000000000
  0.2634030198465530  0.2634030198465530  0.2634030197988451
  0.7365969801534467  0.7365969801534467  0.7365969802011550
 
  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
