datafile (written by JARVIS-Tools) 

4 	 atoms 
1  atom types
0.0 4.06741  xlo xhi
0.0 4.06741  ylo yhi
0.0 4.06741  zlo zhi
0.0 0.0 0.0  xy xz yz


Atoms 

     1   1 0.000000 0.0 0.0 0.0
     2   1 0.000000 0.0 2.033705 2.033705
     3   1 0.000000 2.033705 0.0 2.033705
     4   1 0.000000 2.033705 2.033705 0.0
