# nAt nEla nElb nCore nRyd
 3   4     3   0     0
# Znuc   x            y           z
B 0.00000000 0.00000000 0.14984923
H 0.00000000 2.01119016 -0.81846345
H 0.00000000 -2.01119016 -0.81846345