# type topo
# cell     3.326300     3.326300     2.286800    90.000000    90.000000   120.000000
9
  1 s      2.163426    1.249054    1.143400   0                             2/13      3/13      4/22      7/22 
  2 s      1.162874    1.249054    1.143400   0                             1/13      3/13      5/13      8/13 
  3 s      1.663150    0.382552    1.143400   0                             1/13      2/13      6/10      9/10 
  4 s     -0.500276    1.631606    0.500123   1                              1/4      5/13      6/13      7/12 
  5 s      0.500276    1.631606    0.500123   1                             2/13      4/13      6/13      8/12 
  6 s      0.000000    2.498109    0.500123   1                             3/16      4/13      5/13      9/12 
  7 s     -0.500276    1.631606    1.786677   1                              1/4      4/14      8/13      9/13 
  8 s      0.500276    1.631606    1.786677   1                             2/13      5/14      7/13      9/13 
  9 s      0.000000    2.498109    1.786677   1                             3/16      6/14      7/13      8/13