program lattice

* This program multiplies the Kenway coordinates by the appropriate 
* lattice vectors.  It also converts the atomic symbol Al and O to 
* 13 and 8.
* Also, it multiplies each coordinate by 10--to obtain the units of
* Angstroms.

      implicit double precision (a-h,o-z)
      character name*3
      dimension x(500), y(500), z(500), iname(500)
      character name(500)*3

 5    format(i3,3(4x,f12.8))
 6    format(a,3(4x,f12.8))

      open (unit=10, file='unrelax', status='old')
      read(10,*) m
      read(10,*) 
      do 100 i=1,m
	 read(10,6) name(i), x(i), y(i), z(i)
 100  continue
      close (unit=10)

      c=0.4819
      b=2.3982
      a=2.6712

      open (unit=20, file='unrelax.xyz', status='new')
      write(20,*) m
      write(20,*)
      do 200 j=1,m
	 x(j)=x(j)*a*10.0
	 y(j)=y(j)*b*10.0
	 z(j)=z(j)*c*10.0
         if (name(j).eq.' Al') then
	    iname(j)=13
         end if
	 if (name(j).eq.' O '.or.name(j).eq.' o ') then
	    iname(j)=8
	 end if
 	 write(20,5) iname(j), x(j), y(j), z(j)
 200  continue
      close (unit=20)

      end