# type topo
# cell     3.481800     2.373000     2.371200    90.000000   111.299000    90.000000
12
  1 s      0.870450    0.593250    0.000000   0                             5/13      8/13      10/9     11/12 
  2 s      2.180699    0.593250    1.104621   0                             6/13      7/13      9/10     12/13 
  3 s      2.611350    1.779750    0.000000   0                             6/16      7/13      9/12     12/12 
  4 s      0.439799    1.779750    1.104621   0                             5/16      8/13     10/13     11/13 
  5 s      0.250334    0.316084    0.734131   1                             1/13      4/10       6/4     11/13 
  6 s      2.800814    0.316084    0.370490   1                             2/13      3/10      5/22     12/12 
  7 s      1.991234    1.502584    0.734131   1                             2/13      3/13      8/13      9/13 
  8 s      1.059914    1.502584    0.370490   1                             1/13      4/13      7/13     10/12 
  9 s      2.370163    2.056916    1.475110   1                             2/16      3/14      7/13     10/22 
 10 s     -0.180317    2.056916    1.838752   1                             1/17      4/13      8/14       9/4 
 11 s      0.629263    0.870416    1.475110   1                             1/14      4/13      5/13     12/13 
 12 s      1.560583    0.870416    1.838752   1                             2/13      3/14      6/14     11/13