# type topo
# cell     2.774900     2.774900     2.774900    90.000000    90.000000    90.000000
16
  1 o      0.000000    0.000000    1.387450   0                             5/13       8/4     10/10      11/1      13/4     15/10 
  2 o      1.387450    1.387450    1.387450   0                             5/13      7/13      9/13     11/13     14/13     16/13 
  3 o      1.387450    0.000000    0.000000   0                             6/12      7/13     10/10     12/10     13/12      16/9 
  4 o      0.000000    1.387450    0.000000   0                             6/12       8/4      9/13      12/4      14/3     15/12 
  5 n      0.693725    0.693725    1.581138   1                             1/13      2/13      6/13 
  6 n      0.693725    0.693725    2.581212   1                             3/14      4/14      5/13 
  7 n      1.581138    0.693725    0.693725   1                             2/13      3/13      8/13 
  8 n      2.581212    0.693725    0.693725   1                             1/22      4/22      7/13 
  9 n      0.693725    1.581138    0.693725   1                             2/13      4/13     10/13 
 10 n      0.693725    2.581212    0.693725   1                             1/16      3/16      9/13 
 11 n      2.081175    2.081175    1.193762   1                             1/25      2/13     12/13 
 12 n      2.081175    2.081175    0.193688   1                             3/16      4/22     11/13 
 13 n      2.081175    0.193688    2.081175   1                             1/22      3/14     14/13 
 14 n      2.081175    1.193762    2.081175   1                             2/13      4/23     13/13 
 15 n      0.193688    2.081175    2.081175   1                             1/16      4/14     16/13 
 16 n      1.193762    2.081175    2.081175   1                             2/13      3/17     15/13