# type topo
# cell     1.801500     1.801500     3.737200    90.000000    90.000000    90.000000
8
  1 s      0.000000    0.900750    0.934300   0                             5/13      5/16      8/13       8/4 
  2 s      0.900750    0.000000    0.934300   0                             5/13      5/22      8/13      8/10 
  3 s      0.000000    0.900750    2.802900   0                             6/16      6/13      7/13       7/4 
  4 s      0.900750    0.000000    2.802900   0                             6/22      6/13      7/13      7/10 
  5 p      0.000000    0.000000    1.368563   1                             1/13      1/10      2/13       2/4      6/13 
  6 p      0.000000    0.000000    2.368637   1                             3/10      3/13       4/4      4/13      5/13 
  7 p      0.900750    0.900750    3.237163   1                             3/13      3/22      4/13      4/16      8/14 
  8 p      0.900750    0.900750    0.500037   1                             1/13      1/22      2/13      2/16      7/12