 Y H O
   1.0
     6.1898980400000001   -0.0000000200000000    0.0000000000000000
    -3.0949490000000002    5.3606089499999996    0.0000000000000000
     0.0000000000000000    0.0000000000000000    3.5014828800000002
 Y H O
   2   6   6
Direct
   0.6666666700000000  0.3333333300000000  0.3113623100000000
   0.3333333300000000  0.6666666700000000  0.8113623100000000
   0.1338218700000000  0.2786170400000000  0.3643180400000000
   0.1447951600000000  0.8661781300000000  0.3643180400000000
   0.7213829600000000  0.8552048400000000  0.3643180400000000
   0.8661781300000000  0.7213829600000000  0.8643180400000000
   0.8552048400000000  0.1338218700000000  0.8643180400000000
   0.2786170400000000  0.1447951600000000  0.8643180400000000
   0.3089106800000000  0.3909213400000000  0.2950182900000000
   0.0820106600000000  0.6910893200000000  0.2950182900000000
   0.6090786600000000  0.9179893400000000  0.2950182900000000
   0.6910893200000000  0.6090786600000000  0.7950182900000000
   0.9179893400000000  0.3089106800000000  0.7950182900000000
   0.3909213400000000  0.0820106600000000  0.7950182900000000