Shell Programming and Scripting

#!/usr/bin/awk -f

BEGIN {
    i = 1;
    atomlist = "H ,He,Li,Be,B ,C ,N ,O ,F ,Ne,Na,Mg,Al,Si,P ,S ,Cl,Ar,K ,Ca,Sc,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,Ge,As,Se,Br,Kr,Rb,Sr,Y,Zr,Nb,Mo,Tc,Ru,Rh,Pd,Ag,Cd,In
,Sn,Sb,Te,I,Xe,Cs,Ba,La,Ce,Pr,Nd,Pm,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu,Hf,Ta,W,Re,Os,Ir,Pt,Au,Hg,Tl,Pb,Bi,Po,At,Rn,F r,Ra,Ac,Th,Pa,U,Np,Pu,Am,Cm,Bk,Cf,Es,Fm,Md,No,Lr,Rf,Db,Sg,Bh,Hs,Mt";
    split(atomlist,PSE,",")
}

/Geometry "geometry" -> "geometry"/,/Atomic Mass/ {
     if ( $1 ~ /[0-9]+/ ) {
         S[i] = $3;
         x = $3"abc";        # convert to string
         y = x + 0;           # convert to integer
         printf("%s %d\n",PSE[y], y);
     }
}