Mn1 O2                                  
   1.00000000000000     
     5.0309014650354822   -0.4784090580269341   -0.2833516420613618
     4.4738503487357093    2.3502171569100856   -0.2833516249940359
     4.4738503610856775    0.8810540968138726    2.1971684299218466
   Mn   O 
     1     2
Direct
  0.0014551750171563  0.0014551750087114  0.0014551750093715
  0.6003419525604339  0.6003419524275894  0.6003419524379727
  0.4023138724224116  0.4023138725637008  0.4023138725526574
 
  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
