# type topo
# cell     2.577900     2.577900     1.000000    90.000000    90.000000    90.000000
6
  1 s      0.000000    0.000000    0.000000   0                             3/10       4/4       6/1      5/13 
  2 s      1.288950    1.288950    0.000000   0                             4/13      5/13      3/13      6/13 
  3 p      0.935520    2.224470    0.000000   1                             1/16      2/13      4/16      3/14      3/12 
  4 p      1.642380    0.353430    0.000000   1                             1/22      2/13      3/10      4/14      4/12 
  5 p      0.353430    0.935520    0.000000   1                             1/13      2/13       6/4      5/14      5/12 
  6 p      2.224470    1.642380    0.000000   1                             1/25      2/13      5/22      6/14      6/12