No title                                
           1
     6.720000    0.000000    0.000000
     0.000000    5.932040    0.000000
     0.000000    0.000000    4.239310
   B    H 
     1     4
Direct configuration=     1
   0.62666365  0.44413926  0.42938065
   0.51059545  0.30122360  0.43982688
   0.75961648  0.46700339  0.60460659
   0.35201846  0.73727693  0.41871749
   0.74924800  0.46616797  0.23615738