# type topo
# cell     2.167800     2.167800     5.054400    90.000000    90.000000    90.000000
16
  1 s      0.719493    0.770653    0.488760   0                             8/13      9/13     13/12      16/4 
  2 s      1.448307    1.397147    3.015960   0                             7/13     10/13     14/13     15/22 
  3 s      1.397147    0.719493    1.752360   0                             6/13     11/13     14/10     16/13 
  4 s      0.770653    1.448307    4.279560   0                             5/13     12/13     13/16     15/13 
  5 s      1.448307    0.770653    4.565640   0                             4/13      9/14     12/22     13/13 
  6 s      0.719493    1.397147    2.038440   0                             3/13     10/13      11/4     14/13 
  7 s      0.770653    0.719493    3.302040   0                             2/13     10/10     12/13     15/13 
  8 s      1.397147    1.448307    0.774840   0                             1/13      9/16     11/13     16/13 
  9 p      1.484726    0.155648    0.298715   1                             1/13      5/12      8/10     13/12     16/13 
 10 p      0.683074    2.012152    2.825915   1                             2/13      6/13      7/16     14/13     15/13 
 11 p      2.012152    1.484726    1.562315   1                             3/13      6/22      8/13     14/13     16/13 
 12 p      0.155648    0.683074    4.089515   1                             4/13       5/4      7/13     13/13     15/13 
 13 p      0.683074    0.155648    4.755685   1                             1/14      4/10      5/13      9/14     12/13 
 14 p      1.484726    2.012152    2.228485   1                             2/13      3/16      6/13     10/13     11/13 
 15 p      0.155648    1.484726    3.492085   1                              2/4      4/13      7/13     10/13     12/13 
 16 p      2.012152    0.683074    0.964885   1                             1/22      3/13      8/13      9/13     11/13