 Mg Br
   1.0
     3.8184902699999999    0.0000000000000000    0.0000000000000000
    -1.9092451399999999    3.3069095800000001    0.0000000000000000
     0.0000000000000000    0.0000000000000000    6.5300227199999998
 Mg Br
   1   2
Direct
   0.0000000000000000  0.0000000000000000  0.0000000000000000
   0.3333333300000000  0.6666666700000000  0.2303653900000000
   0.6666666700000000  0.3333333300000000  0.7696346100000000