# type topo
# cell     4.788300     1.545900     2.042300    90.000000    90.000000    90.000000
12
  1 o      1.752039    0.386475    0.284901   0                             6/12       6/9      8/13     11/10     11/13     12/12 
  2 o      0.642111    1.159425    1.306051   0                             5/13      5/16       7/4     11/13     12/13     12/16 
  3 o      3.036261    1.159425    1.757399   0                             6/13      8/14      8/17      9/13      9/16     10/14 
  4 o      4.146189    0.386475    0.736249   0                             5/22      7/13      7/10      9/13     10/13     10/10 
  5 s      0.358165    0.386475    0.738700   1                             2/13      2/10       4/4     12/12 
  6 s      2.035985    1.159425    1.759850   1                             1/14      1/17      3/13     11/13 
  7 s      4.430135    1.159425    1.303600   1                             2/22      4/13      4/16     10/14 
  8 s      2.752315    0.386475    0.282450   1                             1/13      3/12       3/9      9/13 
  9 s      3.238806    0.386475    1.155942   2                             3/13      3/10      4/13      8/13 
 10 s      3.943644    1.159425    0.134792   2                             3/12      4/13      4/16      7/12 
 11 s      1.549494    1.159425    0.886358   2                             1/16      1/13      2/13      6/13 
 12 s      0.844656    0.386475    1.907508   2                             1/14      2/13      2/10      5/14