# type topo
# cell     3.305100     2.498600     2.840300    90.000000    90.000000    90.000000
12
  1 s      0.326213    0.499970    1.041254   0                              3/4      7/10      8/13      9/13 
  2 s      1.326337    1.998630    1.041254   0                             4/13      7/13      8/16     10/13 
  3 s      2.978887    0.499970    1.799046   0                             1/22      5/10      6/13     11/13 
  4 s      1.978763    1.998630    1.799046   0                             2/13      5/13      6/16     12/13 
  5 s      2.978887    1.998630    1.799046   0                             3/16      4/13      7/22     11/13 
  6 s      1.978763    0.499970    1.799046   0                             3/13      4/10      8/13     12/13 
  7 s      0.326213    1.998630    1.041254   0                             1/16      2/13       5/4      9/13 
  8 s      1.326337    0.499970    1.041254   0                             1/13      2/10      6/13     10/13 
  9 s      0.326213    1.249300    0.378896   1                             1/13      7/13     10/13      11/3 
 10 s      1.326337    1.249300    0.378896   1                             2/13      8/13      9/13     12/12 
 11 s      2.978887    1.249300    2.461404   1                             3/13      5/13      9/23     12/13 
 12 s      1.978763    1.249300    2.461404   1                             4/13      6/13     10/14     11/13