# type topo
# cell     3.305200     3.305200     1.512700    90.000000    90.000000    90.000000
12
  1 o      0.826300    2.478900    0.000000   0                             9/13      9/12      7/13      7/12      5/13     12/13 
  2 o      2.478900    0.826300    0.000000   0                             8/13      8/12     10/13     10/12      6/13     11/13 
  3 o      2.478900    2.478900    0.756350   0                            12/13     12/14      6/13      6/14      7/22     10/16 
  4 o      0.826300    0.826300    0.756350   0                             5/13      5/14     11/13     11/14       8/4      9/10 
  5 n      0.790934    1.479408    0.000000   1                             1/13      4/13      4/12 
  6 n      2.514266    1.825792    0.000000   1                             2/13      3/13      3/12 
  7 n      0.173192    2.443534    0.756350   1                             1/13      1/14       3/4 
  8 n      3.132008    0.861666    0.756350   1                             2/13      2/14      4/22 
  9 n      0.861666    3.132008    0.756350   1                             1/13      1/14      4/16 
 10 n      2.443534    0.173192    0.756350   1                             2/13      2/14      3/10 
 11 n      1.479408    0.790934    0.000000   1                             2/13      4/13      4/12 
 12 n      1.825792    2.514266    0.000000   1                             1/13      3/13      3/12