# type topo
# cell     1.633000     1.633000     0.433300    90.000000    90.000000   120.000000
3
  1 s      0.816500    0.000000    0.000000   0                             2/21       2/9      3/13      3/10 
  2 s     -0.408250    0.707110    0.288867   0                              1/5      1/17      3/13       3/4 
  3 s      0.408250    0.707110    0.144433   0                             1/13      1/16      2/13      2/22