# type topo
# cell     3.051700     2.998000     2.951800    90.000000    90.000000    90.000000
12
  1 s      0.762925    0.621485    0.737950   0                             5/13      6/13      9/13     11/13 
  2 s      0.762925    2.376515    2.213850   0                             5/17      6/16     10/13     12/13 
  3 s      2.288775    2.376515    2.213850   0                             7/17      8/16     10/13     12/22 
  4 s      2.288775    0.621485    0.737950   0                             7/13      8/13      9/22     11/13 
  5 n      1.025982    0.000000    0.000000   1                             1/13       2/9      7/13 
  6 n      0.499868    0.000000    1.475900   1                             1/13      2/10       8/4 
  7 n      2.025718    0.000000    0.000000   1                              3/9      4/13      5/13 
  8 n      2.551832    0.000000    1.475900   1                             3/10      4/13      6/22 
  9 n      0.000000    1.116155    0.321746   2                             1/13       4/4     12/12 
 10 n      1.525850    1.881845    1.797646   2                             2/13      3/13     11/13 
 11 n      1.525850    1.116155    1.154154   2                             1/13      4/13     10/13 
 12 n      0.000000    1.881845    2.630054   2                             2/13       3/4      9/14