# type topo
# cell     2.828400     2.828400     2.828400    90.000000    90.000000    90.000000
12
  1 s      0.707100    0.000000    1.414200   0                             9/13     10/10     11/13     12/13 
  2 s      2.121300    0.000000    1.414200   0                             9/22     10/19     11/13     12/13 
  3 s      1.414200    0.707100    0.000000   0                             7/13      8/13     11/13     12/12 
  4 s      1.414200    2.121300    0.000000   0                             7/13      8/13     11/16     12/15 
  5 s      0.000000    1.414200    0.707100   0                             7/13       8/4      9/13     10/13 
  6 s      0.000000    1.414200    2.121300   0                             7/14       8/5      9/13     10/13 
  7 s      0.707100    1.414200    0.000000   1                             3/13      4/13      5/13      6/12 
  8 s      2.121300    1.414200    0.000000   1                             3/13      4/13      5/22      6/21 
  9 s      0.000000    0.707100    1.414200   1                             1/13       2/4      5/13      6/13 
 10 s      0.000000    2.121300    1.414200   1                             1/16       2/7      5/13      6/13 
 11 s      1.414200    0.000000    0.707100   1                             1/13      2/13      3/13      4/10 
 12 s      1.414200    0.000000    2.121300   1                             1/13      2/13      3/14      4/11