# type topo
# cell     2.000000     2.828400     2.828400    90.000000    90.000000    90.000000
12
  1 o      0.500000    0.707100    2.121300   0                            11/13      5/14      8/13     10/14       2/4      2/13 
  2 o      1.500000    0.707100    2.121300   0                             1/22      1/13      7/13      9/14     12/13      6/14 
  3 o      1.500000    2.121300    0.707100   0                             6/13      7/13      9/16     12/16      4/22      4/13 
  4 o      0.500000    2.121300    0.707100   0                              3/4      3/13     10/13     11/13      5/16      8/16 
  5 n      0.500000    0.000000    0.000000   1                             1/12      4/10      9/13 
  6 n      1.500000    1.414200    0.000000   1                             2/12      3/13     10/13 
  7 n      1.500000    1.414200    1.414200   1                             2/13      3/13     11/22 
  8 n      0.500000    0.000000    1.414200   1                             1/13      4/10      12/4 
  9 n      1.500000    0.000000    0.000000   1                             2/12      3/10      5/13 
 10 n      0.500000    1.414200    0.000000   1                             1/12      4/13      6/13 
 11 n      0.500000    1.414200    1.414200   1                             1/13      4/13       7/4 
 12 n      1.500000    0.000000    1.414200   1                             2/13      3/10      8/22