# type topo
# cell     2.828700     2.828700     1.154500    90.000000    90.000000   120.000000
5
  1 s      1.414350    0.000000    0.577250   0                             4/10      4/11      5/13      5/14 
  2 s     -0.707175    1.224863    0.577250   0                             4/13      4/14       5/5       5/4 
  3 s      0.707175    1.224863    0.577250   0                             4/13      4/14      5/13      5/14 
  4 o     -0.000141    1.633232    0.000000   1                             1/16      1/15      2/13      2/12      3/13      3/12 
  5 o      1.414491    0.816494    0.000000   1                             1/13      1/12      2/21      2/22      3/13      3/12