cif.txt -- Reduced via -b,1/2b+1/2c,-a
1.0
     2.7530000000       0.0000000000       0.0000000000
    -1.3765       3.3036       0.0000000000
     0.0000000000       0.0000000000       3.7480000000
A B
1 2
Direct
     0.288540000     0.577080000     0.500000000  
     0.022380000     0.044760000     0.832360000  
     0.022380000     0.044760000     0.167640000  
