# type topo
# cell     2.828400     2.828400     2.828400    90.000000    90.000000    90.000000
15
  1 s      0.000000    1.414200    1.414200   0                             4/13      5/13      6/13      7/13 
  2 s      1.414200    0.000000    1.414200   0                             8/13      9/13     10/13     11/13 
  3 s      1.414200    1.414200    0.000000   0                            12/13     13/13     14/13     15/13 
  4 p      0.000000    0.707100    0.707100   1                             1/13      8/13      10/4     12/13      13/4 
  5 p      0.000000    2.121300    0.707100   1                             1/13      8/16      10/7     14/13      15/4 
  6 p      0.000000    0.707100    2.121300   1                             1/13      9/13      11/4     12/14      13/5 
  7 p      0.000000    2.121300    2.121300   1                             1/13      9/16      11/7     14/14      15/5 
  8 p      0.707100    0.000000    0.707100   1                             2/13      4/13      5/10     12/13     14/10 
  9 p      0.707100    0.000000    2.121300   1                             2/13      6/13      7/10     12/14     14/11 
 10 p      2.121300    0.000000    0.707100   1                             2/13      4/22      5/19     13/13     15/10 
 11 p      2.121300    0.000000    2.121300   1                             2/13      6/22      7/19     13/14     15/11 
 12 p      0.707100    0.707100    0.000000   1                             3/13      4/13      6/12      8/13      9/12 
 13 p      2.121300    0.707100    0.000000   1                             3/13      4/22      6/21     10/13     11/12 
 14 p      0.707100    2.121300    0.000000   1                             3/13      5/13      7/12      8/16      9/15 
 15 p      2.121300    2.121300    0.000000   1                             3/13      5/22      7/21     10/16     11/15