Benzonitrile gs (00) nu22 (11) and nu33 (22)
 000      00001  2092241.   0 160     -11.   -11.     450.0   300.
   1    4.50      / mu_a  gs        
   2    0.00      / mu_b            
   3    0.00      / mu_c            
 111    4.50      / mu_a  nu22     
 112    0.00      / mu_b            
 113    0.00      / mu_c            
 221    4.50      / mu_a  nu33 
 222    0.00      / mu_b            
 223    0.00      / mu_c