#! /bin/csh -f

awk ' BEGIN {c=10000;c1=c*10;print "atom,x/a,y/b,z/c,U11,U22,U33,U12,U13,U23"}\
     {      if ($1 == "ATOM"){x=$3;y=$4;z=$5;sx=$8*c1;sy=$9*c1;sz=$10*c1}\
       else if ($1 == "UIJ") { u1=$3*c;u2=$4*c;u3=$5*c;u4=$6*c;u5=$7*c;u6=$8*c}\
       else if ($1 == "SUIJ"){s1=$3*c;s2=$4*c;s3=$5*c;s4=$6*c;s5=$7*c;s6=$8*c;\
 printf "%-4s,%-.5f(%-2.0f),%-.5f(%-2.0f),%-.5f(%-2.0f),%-4.1f(%-2.0f),%-4.1f(%-2.0f),%-4.1f(%-2.0f),%-4.1f(%-2.0f),%-4.1f(%-2.0f),%-4.1f(%-2.0f) \n",$2,x,sx,y,sy,z,sz,u1,s1,u2,s2,u3,s3,u4,s4,u5,s5,u6,s6}\
     }' $1.pch