# type topo
# cell     2.123300     2.123300     4.515300    90.000000    90.000000   120.000000
12
  1 s      0.632000    0.429735    0.255566   0                             4/13       8/9     11/12     12/13 
  2 s      1.435138    0.332461    3.265766   0                             5/10      7/22     10/13     11/13 
  3 s      1.117811    1.076636    1.760666   0                             6/22      9/13     10/13     12/13 
  4 s      0.429650    1.409097    0.255566   0                             1/13      8/12      9/13     11/15 
  5 s     -0.373488    1.506371    3.265766   0                             2/16      7/13      8/13      10/4 
  6 s     -0.056161    0.762196    1.760666   0                              3/4      7/13      9/13     12/13 
  7 s      0.056161    0.762196    2.754634   0                              2/4      5/13      6/13     10/13 
  8 s     -0.429650    1.409097    4.259734   0                             1/17      4/14      5/13      11/4 
  9 s      0.373488    1.506371    1.249534   0                             3/13      4/13      6/13     12/16 
 10 s      1.005489    1.076636    2.754634   0                             2/13      3/13      5/22      7/13 
 11 s      1.491300    0.429735    4.259734   0                             1/14      2/13      4/11      8/22 
 12 s      0.688162    0.332461    1.249534   0                             1/13      3/13      6/13      9/10