# type topo
# cell     2.792200     2.792200     2.324800    90.000000    90.000000    90.000000
12
  1 o      0.967777    0.967777    1.162400   0                             8/13      7/13     10/13      9/13     11/13      5/13 
  2 o      1.824423    1.824423    1.162400   0                             8/13      7/13     10/13      9/13      6/13     12/13 
  3 o      0.428323    2.363877    0.000000   0                              6/4      12/3      5/16     11/15      7/12      9/13 
  4 o      2.363877    0.428323    0.000000   0                             6/10      12/9      5/22     11/21      8/12     10/13 
  5 n      0.428882    0.428882    0.514943   1                             1/13      3/10       4/4 
  6 n      2.363318    2.363318    0.514943   1                             2/13      3/22      4/16 
  7 n      0.967218    1.824982    1.677343   1                             1/13      2/13      3/14 
  8 n      1.824982    0.967218    1.677343   1                             1/13      2/13      4/14 
  9 n      0.967218    1.824982    0.647457   1                             1/13      2/13      3/13 
 10 n      1.824982    0.967218    0.647457   1                             1/13      2/13      4/13 
 11 n      0.428882    0.428882    1.809857   1                             1/13      3/11       4/5 
 12 n      2.363318    2.363318    1.809857   1                             2/13      3/23      4/17