# type topo
# cell     2.403100     2.403100     2.403100    90.000000    90.000000    90.000000
12
  1 o      0.000000    0.000000    1.201550   0                             11/1      5/13      7/13      8/13      10/1      12/1 
  2 o      1.201550    1.201550    1.201550   0                             6/13      7/13      8/13     12/13      9/13     11/13 
  3 o      1.201550    0.000000    0.000000   0                              9/9      10/9      5/13      6/13      7/13      11/9 
  4 o      0.000000    1.201550    0.000000   0                              9/3      10/3      5/13      6/13      8/13      12/3 
  5 s      0.288612    0.288612    0.288612   1                             1/13      3/13      4/13      10/0 
  6 s      0.912938    0.912938    0.288612   1                             2/13      3/13      4/13      9/12 
  7 s      0.912938    0.288612    0.912938   1                             1/13      2/13      3/13     11/10 
  8 s      0.288612    0.912938    0.912938   1                             1/13      2/13      4/13      12/4 
  9 s      1.490162    1.490162    2.114488   1                             2/13      3/17      4/23      6/14 
 10 s      2.114488    2.114488    2.114488   1                             1/25      3/17      4/23      5/26 
 11 s      1.490162    2.114488    1.490162   1                             1/25      2/13      3/17      7/16 
 12 s      2.114488    1.490162    1.490162   1                             1/25      2/13      4/23      8/22