# type topo
# cell     2.235500     2.890900     3.329800    90.000000    90.000000    90.000000
12
  1 s      0.000000    0.866114    2.497350   0                             5/13       7/4       9/4     11/13 
  2 s      0.000000    2.024786    0.832450   0                              6/7      8/16     10/13      12/4 
  3 s      1.117750    2.311564    2.497350   0                             5/16      7/16      9/13     11/13 
  4 s      1.117750    0.579336    0.832450   0                             6/13      8/13     10/13     12/13 
  5 s      0.373552    0.000000    2.165036   1                             1/13      3/10       7/4      8/13 
  6 s      1.861948    0.000000    0.500136   1                             2/19      4/13      7/12      8/22 
  7 s      1.861948    0.000000    2.829664   1                             1/22      3/10      5/22      6/14 
  8 s      0.373552    0.000000    1.164764   1                             2/10      4/13      5/13       6/4 
  9 s      1.491302    1.445450    2.165036   1                             1/22      3/13     11/13     12/13 
 10 s      0.744198    1.445450    0.500136   1                             2/13      4/13     11/12     12/13 
 11 s      0.744198    1.445450    2.829664   1                             1/13      3/13      9/13     10/14 
 12 s      1.491302    1.445450    1.164764   1                             2/22      4/13      9/13     10/13