# type topo
# cell     2.070200     1.973200     2.443800    90.000000   107.170000    90.000000
6
  1 n      1.033245    0.279602    0.960106   0                             3/10      5/13      6/22 
  2 n      1.711341    1.266202    0.207338   0                             4/21      5/16      6/22 
  3 n      0.315526    1.693598    1.374782   0                             1/16      5/17      6/13 
  4 n     -0.362570    0.706998    2.127549   0                              2/5      5/14      6/13 
  5 s      1.035100    0.000000    0.000000   1                             1/13      2/10       3/9      4/12 
  6 s     -0.360714    0.986600    1.167444   1                              1/4       2/4      3/13      4/13