# type topo
# cell     1.997700     1.706700     4.078100    90.000000   129.203000    90.000000
8
  1 s      1.115565    0.226991    0.395969   0                             5/22      6/13      6/10      8/12 
  2 s     -0.406687    1.080341    1.184114   0                              6/4      5/16      5/13      7/13 
  3 s     -1.695509    1.479709    2.764197   0                              7/4      8/13      8/16      6/14 
  4 s     -0.173257    0.626359    1.976052   0                             8/22      7/13      7/10      5/13 
  5 p     -0.883239    0.226991    1.395845   1                              1/4      2/10      2/13      4/13       7/1 
  6 p      1.592117    1.080341    0.184238   1                             1/13      1/16      2/22      3/12      8/21 
  7 p      0.303295    1.479709    1.764321   1                             2/13      3/22      4/13      4/16      5/25 
  8 p     -2.172061    0.626359    2.975928   1                             1/14      3/13      3/10       4/4       6/5