datafile (written by JARVIS-Tools) 

31 	 atoms 
1  atom types
0.0 8.16331  xlo xhi
0.0 8.16331  ylo yhi
0.0 8.16331  zlo zhi
0.0 0.0 0.0  xy xz yz


Atoms 

     1   1 0.000000 -0.007122459117278066 -0.007122459117278009 -0.007122459117278078
     2   1 0.000000 -0.007122459117278066 -0.007122459117278009 4.074532540882721
     3   1 0.000000 -0.007122459117278066 4.074532540882721 -0.007122459117278078
     4   1 0.000000 -0.007122459117278066 4.074532540882721 4.074532540882721
     5   1 0.000000 4.074532540882721 -0.007122459117278009 -0.007122459117278078
     6   1 0.000000 4.074532540882721 -0.007122459117278009 4.074532540882721
     7   1 0.000000 4.074532540882721 4.074532540882721 -0.007122459117278078
     8   1 0.000000 4.074532540882721 4.074532540882721 4.074532540882721
     9   1 0.000000 -0.007122459117278066 2.033707491278036 2.0337074912780366
    10   1 0.000000 -0.007122459117278066 2.033707491278036 6.115362491278036
    11   1 0.000000 -0.007122459117278066 6.115362491278036 2.0337074912780366
    12   1 0.000000 -0.007122459117278066 6.115362491278036 6.115362491278036
    13   1 0.000000 4.074532540882721 2.033707491278036 2.0337074912780366
    14   1 0.000000 4.074532540882721 2.033707491278036 6.115362491278036
    15   1 0.000000 4.074532540882721 6.115362491278036 2.0337074912780366
    16   1 0.000000 4.074532540882721 6.115362491278036 6.115362491278036
    17   1 0.000000 2.0337074912780366 -0.007122459117278015 2.0337074912780366
    18   1 0.000000 2.0337074912780366 -0.007122459117278015 6.115362491278036
    19   1 0.000000 2.0337074912780366 4.074532540882721 2.0337074912780366
    20   1 0.000000 6.115362491278036 -0.007122459117278015 2.0337074912780366
    21   1 0.000000 6.115362491278036 -0.007122459117278015 6.115362491278036
    22   1 0.000000 6.115362491278036 4.074532540882721 2.0337074912780366
    23   1 0.000000 6.115362491278036 4.074532540882721 6.115362491278036
    24   1 0.000000 2.0337074912780366 2.033707491278036 -0.007122459117278078
    25   1 0.000000 2.0337074912780366 2.033707491278036 4.074532540882721
    26   1 0.000000 2.0337074912780366 6.115362491278036 -0.007122459117278078
    27   1 0.000000 2.0337074912780366 6.115362491278036 4.074532540882721
    28   1 0.000000 6.115362491278036 2.033707491278036 -0.007122459117278078
    29   1 0.000000 6.115362491278036 2.033707491278036 4.074532540882721
    30   1 0.000000 6.115362491278036 6.115362491278036 -0.007122459117278078
    31   1 0.000000 6.115362491278036 6.115362491278036 4.074532540882721
