# type topo
# cell     2.828400     1.633000     1.732100    90.000000    90.000000    90.000000
12
  1 s      0.000000    0.408250    0.433025   0                              6/3      8/12      5/13       7/4 
  2 s      1.414200    1.224750    0.433025   0                             8/12      6/15      5/16      7/13 
  3 s      0.000000    1.224750    1.299075   0                            10/17     11/13      12/5       9/7 
  4 s      1.414200    0.408250    1.299075   0                            10/14     12/14      9/13     11/13 
  5 s      0.707100    0.000000    1.010334   1                             1/13      2/10      8/13      8/10 
  6 s      2.121300    0.000000    1.587816   1                             1/23      2/11      7/13      7/10 
  7 s      2.121300    0.816500    1.010334   1                             1/22      2/13      6/13      6/16 
  8 s      0.707100    0.816500    1.587816   1                             1/14      2/14      5/13      5/16 
  9 s      2.121300    0.000000    0.721766   1                             3/19      4/13     12/13     12/10 
 10 s      0.707100    0.000000    0.144284   1                              3/9      4/12     11/13     11/10 
 11 s      0.707100    0.816500    0.721766   1                             3/13      4/13     10/13     10/16 
 12 s      2.121300    0.816500    0.144284   1                             3/21      4/12      9/13      9/16