# type topo
# cell     2.790900     2.790900     2.754000    90.000000    90.000000    90.000000
16
  1 s      0.000000    0.000000    0.688500   0                             9/13      10/1     15/10      16/4 
  2 s      0.000000    0.000000    2.065500   0                             11/4     12/10      13/1     14/13 
  3 s      1.395450    0.000000    0.000000   1                             9/13     10/10      13/9     14/12 
  4 s      0.000000    1.395450    1.377000   1                             11/4     12/13     15/13      16/4 
  5 s      0.677072    1.313398    0.000000   2                             9/13     12/12     14/12     15/13 
  6 s      2.113828    1.477502    0.000000   2                            10/13     11/12     13/12     16/13 
  7 s      1.477502    0.677072    1.377000   2                             9/13     11/13     14/13     16/13 
  8 s      1.313398    2.113828    1.377000   2                            10/13     12/13     13/13     15/13 
  9 s      0.834758    0.546458    0.622129   3                             1/13      3/13      5/13      7/13 
 10 s      1.956142    2.244442    0.622129   3                             1/25      3/16      6/13      8/13 
 11 s      2.244442    0.834758    1.999129   3                             2/22      4/22      6/14      7/13 
 12 s      0.546458    1.956142    1.999129   3                             2/16      4/13      5/14      8/13 
 13 s      1.956142    2.244442    2.131871   3                             2/25      3/17      6/14      8/13 
 14 s      0.834758    0.546458    2.131871   3                             2/13      3/14      5/14      7/13 
 15 s      0.546458    1.956142    0.754871   3                             1/16      4/13      5/13      8/13 
 16 s      2.244442    0.834758    0.754871   3                             1/22      4/22      6/13      7/13