# type topo
# cell     2.828400     2.828400     2.828400    90.000000    90.000000    90.000000
20
  1 s      0.707100    0.000000    1.414200   0                            16/10     13/13     17/13     19/10 
  2 s      2.121300    0.000000    1.414200   0                            20/13     18/10     15/13     14/10 
  3 s      1.414200    0.707100    0.000000   0                            15/12     13/13     20/13     17/12 
  4 s      1.414200    2.121300    0.000000   0                            18/12     14/13     19/13     16/12 
  5 s      0.000000    1.414200    0.707100   0                             14/4     13/13     19/13      20/4 
  6 s      0.000000    1.414200    2.121300   0                            16/13      18/4     17/13      15/4 
  7 s      0.000000    0.707100    1.414200   0                            17/13      15/4     13/13      20/4 
  8 s      0.000000    2.121300    1.414200   0                             18/4     16/13     19/13      14/4 
  9 s      0.707100    1.414200    0.000000   0                            16/12     19/13     13/13     17/12 
 10 s      2.121300    1.414200    0.000000   0                            18/12     14/13     20/13     15/12 
 11 s      1.414200    0.000000    2.121300   0                            18/10     15/13     17/13     16/10 
 12 s      1.414200    0.000000    0.707100   0                            14/10     13/13     20/13     19/10 
 13 o      0.707100    0.707100    0.707100   1                             1/13      3/13      5/13      7/13      9/13     12/13 
 14 o      2.121300    2.121300    0.707100   1                             2/16      4/13      5/22      8/22     10/13     12/16 
 15 o      2.121300    0.707100    2.121300   1                             2/13      3/14      6/22      7/22     10/14     11/13 
 16 o      0.707100    2.121300    2.121300   1                             1/16      4/14      6/13      8/13      9/14     11/16 
 17 o      0.707100    0.707100    2.121300   1                             1/13      3/14      6/13      7/13      9/14     11/13 
 18 o      2.121300    2.121300    2.121300   1                             2/16      4/14      6/22      8/22     10/14     11/16 
 19 o      0.707100    2.121300    0.707100   1                             1/16      4/13      5/13      8/13      9/13     12/16 
 20 o      2.121300    0.707100    0.707100   1                             2/13      3/13      5/22      7/22     10/13     12/13