 Fe Br
   1.0
     3.5306624499999999    0.0000000000000000    0.0000000000000000
    -1.7653312200000000    3.0576433600000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.8269662899999997
 Fe Br
   1   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.6666666700000000  0.3333333300000000  0.7819283800000000
   0.3333333300000000  0.6666666700000000  0.2180716200000000