 Na Sc Br
   1.0
     7.2564773899999997    0.0000000000000000    0.0000000000000000
    -3.6282386899999999    6.2842937599999997    0.0000000000000000
     0.0000000000000000    0.0000000000000000   12.9382787599999993
 Na Sc Br
   6   2  12
Direct
   0.6666666700000000  0.3333333300000000  0.5377492200000000
   0.6666666700000000  0.3333333300000000  0.9622507800000000
   0.3333333300000000  0.6666666700000000  0.4622507800000000
   0.3333333300000000  0.6666666700000000  0.0377492200000000
   0.0000000000000000  0.0000000000000000  0.2500000000000000
   0.0000000000000000  0.0000000000000000  0.7500000000000000
   0.6666666700000000  0.3333333300000000  0.2500000000000000
   0.3333333300000000  0.6666666700000000  0.7500000000000000
   0.3652703100000000  0.0475734900000000  0.1292637900000000
   0.9524265100000000  0.6347296900000000  0.3707362100000000
   0.3652703100000000  0.3176968300000000  0.3707362100000000
   0.6823031700000000  0.0475734900000000  0.3707362100000000
   0.9524265100000000  0.3176968300000000  0.1292637900000000
   0.6823031700000000  0.6347296900000000  0.1292637900000000
   0.3176968300000000  0.9524265100000000  0.6292637900000000
   0.6347296900000000  0.6823031700000000  0.6292637900000000
   0.0475734900000000  0.3652703100000000  0.6292637900000000
   0.6347296900000000  0.9524265100000000  0.8707362100000000
   0.0475734900000000  0.6823031700000000  0.8707362100000000
   0.3176968300000000  0.3652703100000000  0.8707362100000000