# nAt nEla nElb nCore nRyd
 3   9     8   0     0
# Znuc   x            y           z
P 0.00000000 0.00000000 0.11427641
H 0.00000000 1.91899987 -1.75604411
H 0.00000000 -1.91899987 -1.75604411