# type topo
# cell     2.390600     2.390600     2.137900    90.000000    90.000000    90.000000
12
  1 s      0.000000    0.597650    0.801713   0                             5/13      8/13     10/13      11/4 
  2 s      1.195300    1.792950    1.870663   0                             6/16      7/14      9/13     12/14 
  3 s      0.000000    1.792950    1.336188   0                             5/17      7/13     10/14      12/4 
  4 s      1.195300    0.597650    0.267238   0                             6/13      8/12      9/13     11/12 
  5 o      0.000000    0.000000    0.000000   1                             1/13       3/9      7/10      8/12      11/3      12/1 
  6 o      1.195300    0.000000    1.068950   1                             2/10      4/13      7/10      8/13     11/13     12/10 
  7 o      0.597650    1.792950    0.534475   1                             2/12      3/13      5/16      6/16      9/13     10/13 
  8 o      0.597650    0.597650    1.603425   1                             1/13      4/14      5/14      6/13      9/13     10/14 
  9 o      1.195300    1.195300    1.068950   1                             2/13      4/13      7/13      8/13     11/13     12/13 
 10 o      0.000000    1.195300    0.000000   1                             1/13      3/12      7/13      8/12      11/3      12/4 
 11 o      1.792950    0.597650    1.603425   1                             1/22      4/14      5/23      6/13      9/13     10/23 
 12 o      1.792950    1.792950    0.534475   1                             2/12      3/22      5/25      6/16      9/13     10/22