# type topo
# cell     3.435300     3.435300     5.872300    90.000000    90.000000   120.000000
24
  1 s     -0.500008    2.272051    0.968342   0                             2/13      3/13     10/13     13/13 
  2 s      0.000000    1.406012    0.968342   0                             1/13      3/13     12/13     14/13 
  3 s      0.500008    2.272051    0.968342   0                             1/13      2/13     11/13     15/13 
  4 s      2.217658    0.703006    3.904492   0                             5/13      6/13      7/13     16/13 
  5 s      1.717650    1.569045    3.904492   0                             4/13      6/13      9/13     17/13 
  6 s      1.217642    0.703006    3.904492   0                             4/13      5/13      8/13     18/13 
  7 s      2.217658    0.703006    4.903958   0                             4/13      8/13      9/13     19/13 
  8 s      1.217642    0.703006    4.903958   0                             6/13      7/13      9/13     20/13 
  9 s      1.717650    1.569045    4.903958   0                             5/13      7/13      8/13     21/13 
 10 s     -0.500008    2.272051    1.967808   0                             1/13     11/13     12/13     22/13 
 11 s      0.500008    2.272051    1.967808   0                             3/13     10/13     12/13     23/13 
 12 s      0.000000    1.406012    1.967808   0                             2/13     10/13     11/13     24/13 
 13 p     -1.217814    2.686477    0.408125   1                             1/13     14/16      15/4     20/15      21/3 
 14 p      0.000000    0.577161    0.408125   1                             2/13     13/10      15/1      19/3     20/12 
 15 p      1.217814    2.686477    0.408125   1                             3/13     13/22     14/25     19/15     21/12 
 16 p      2.935464    0.288581    3.344275   1                             4/13     17/10     18/22     23/10     24/22 
 17 p      1.717650    2.397896    3.344275   1                             5/13     16/16     18/25     22/22     23/13 
 18 p      0.499836    0.288581    3.344275   1                             6/13      16/4      17/1     22/10     24/13 
 19 p      2.935464    0.288581    5.464175   1                             7/13     14/23     15/11     20/22     21/10 
 20 p      0.499836    0.288581    5.464175   1                             8/13     13/11     14/14      19/4      21/1 
 21 p      1.717650    2.397896    5.464175   1                             9/13     13/23     15/14     19/16     20/25 
 22 p     -1.217814    2.686477    2.528025   1                            10/13      17/4     18/16      23/4     24/16 
 23 p      1.217814    2.686477    2.528025   1                            11/13     16/16     17/13     22/22     24/25 
 24 p      0.000000    0.577161    2.528025   1                            12/13      16/4     18/13     22/10      23/1