#!/bin/bash

if [ $# -eq 1 ]; then
    file=$1
else
    echo 'csymm <xyz filename>'
    exit 1
fi

xyz2sml ()
{
    echo '1 1 1 90 90 90'
    echo '2 1' $1 $1
    awk 'NR > 2 {printf "%-6s1 %-9.5f%-9.5f%-9.5f%-9.5f%-9.5f%-9.5f\n",$1,$2,$3,$4,0,0,0}' $2
}

xyz2sml .1 $file | timeout 1 symmol | awk '{if ($1=="Schoenflies") {print $4} else if ($1=="NO") {print "C1"} else if ($1=="ERROR:") {print "C1"} else if ($9=="*") count++} END {print count}'

exit 0