# type topo
# cell     3.572100     3.572100     3.838500    90.000000    90.000000   120.000000
12
  1 s      1.432591    0.353590    0.353526   0                             4/10       8/9     11/12     12/13 
  2 s      2.549586    1.063865    2.912526   0                             5/22      7/22     10/13     11/13 
  3 s      1.375973    1.676074    1.633026   0                             6/13      9/13     10/13     12/13 
  4 s      0.353459    2.739939    0.353526   0                             1/16      8/12      9/13     11/15 
  5 s     -0.763536    2.029665    2.912526   0                              2/4      7/13      8/13      10/4 
  6 s      0.410077    1.417455    1.633026   0                             3/13      7/13      9/13     12/13 
  7 s     -0.410077    1.417455    2.205474   0                              2/4      5/13      6/13      10/4 
  8 s     -0.353459    2.739939    3.484974   0                             1/17      4/14      5/13     11/16 
  9 s      0.763536    2.029665    0.925974   0                             3/13      4/13      6/13     12/13 
 10 s      2.196127    1.676074    2.205474   0                             2/13      3/13      5/22      7/22 
 11 s      2.139509    0.353590    3.484974   0                             1/14      2/13      4/11      8/10 
 12 s      1.022514    1.063865    0.925974   0                             1/13      3/13      6/13      9/13