# type topo
# cell     4.464100     4.464100     2.633000    90.000000    90.000000   120.000000
16
  1 s     -0.000223    2.577478    0.500007   0                             4/12      5/13      6/13      7/13 
  2 s      2.232273    1.288546    0.500007   0                             3/12      8/13      9/13     10/13 
  3 s      2.232273    1.288546    2.132993   0                             2/14      8/13      9/13     10/13 
  4 s     -0.000223    2.577478    2.132993   0                             1/14      5/13      6/13      7/13 
  5 p      0.000000    2.000281    1.316500   1                             1/13      4/13      6/13      7/13     11/13 
  6 p      0.499756    2.865884    1.316500   1                             1/13      4/13      5/13      7/13     12/13 
  7 p     -0.499756    2.865884    1.316500   1                             1/13      4/13      5/13      6/13     13/13 
  8 p      2.232050    1.865743    1.316500   1                             2/13      3/13      9/13     10/13     14/13 
  9 p      1.732294    1.000140    1.316500   1                             2/13      3/13      8/13     10/13     15/13 
 10 p      2.731806    1.000140    1.316500   1                             2/13      3/13      8/13      9/13     16/13 
 11 n      0.000000    0.999754    1.316500   2                             5/13     15/13      16/4 
 12 n      1.366238    3.366147    1.316500   2                             6/13     14/13     16/16 
 13 n     -1.366238    3.366147    1.316500   2                             7/13      14/4     15/16 
 14 n      2.232050    2.866270    1.316500   2                             8/13     12/13     13/22 
 15 n      0.865812    0.499877    1.316500   2                             9/13     11/13     13/10 
 16 n      3.598288    0.499877    1.316500   2                            10/13     11/22     12/10