# type topo
# cell     2.121400     2.121400     2.449500    90.000000    90.000000    90.000000
6
  1 n      0.353637    0.707063    0.612375   0                              2/4      5/13      6/13 
  2 n      1.767763    1.414337    0.612375   0                             1/22      5/25      6/13 
  3 n      0.707063    1.767763    1.837125   0                             4/16      5/16      6/14 
  4 n      1.414337    0.353637    1.837125   0                             3/10      5/22      6/14 
  5 s      0.000000    0.000000    1.224750   1                             1/13       2/1      3/10       4/4 
  6 s      1.060700    1.060700    0.000000   1                             1/13      2/13      3/12      4/12