# type topo
# cell     2.000000     2.000000     1.742100    90.000000    90.000000    90.000000
6
  1 s      0.000000    0.000000    0.000000   0                             3/13      3/12      4/10       4/9 
  2 s      1.000000    1.000000    0.000000   0                             5/13      5/12      6/13      6/12 
  3 p      0.000000    0.500000    0.871050   1                             1/13      1/14      6/13       6/4      4/13 
  4 p      0.000000    1.500000    0.871050   1                             1/16      1/17      3/13      5/13       5/4 
  5 p      1.000000    1.500000    0.871050   1                             2/13      2/14      4/13      4/22      6/16 
  6 p      1.000000    0.500000    0.871050   1                             2/13      2/14      3/13      3/22      5/10