# type topo
# cell     2.983600     1.722400     1.956400    90.000000   101.999000    90.000000
6
  1 n      0.000000    0.000000    0.000000   0                             3/13       5/4       5/3 
  2 n      1.491800    0.861200    0.000000   0                             4/13      6/13      6/12 
  3 s      0.588041    0.000000    0.808711   1                             1/13       5/4      6/13      6/10 
  4 s      2.079841    0.861200    0.808711   1                             2/13      5/13      5/16      6/13 
  5 p      2.577296    0.000000    0.913579   2                             1/22      1/23      3/22      4/13      4/10 
  6 p      1.085496    0.861200    0.913579   2                             2/13      2/14      3/13      3/16      4/13