$cell vectors
1.0
  5.6619973357924893    0.0000000000000000    0.0000000000000000
  0.0000000000000000    5.6619973357924893    0.0000000000000000
  0.0000000000000000    0.0000000000000000    4.7159977809250062
 2 2 4 8
Direct
  0.0000000000000000    0.4999999999999999    0.3300000000000005 # C1
  0.4999999999999999    0.0000000000000000    0.6700000000000006 # C2
  0.0000000000000000    0.4999999999999999    0.5979999999999995 # O1
  0.4999999999999999    0.0000000000000000    0.4020000000000004 # O2
  0.1432999999999998    0.6433000000000009    0.1847000000000005 # N1
  0.6433000000000009   -0.1432999999999998    0.8153000000000006 # N2
 -0.1432999999999998    0.3567000000000002    0.1847000000000005 # N3
  0.3567000000000002    0.1432999999999998    0.8153000000000006 # N4
  0.2430000000000002    0.7430000000000002    0.2810000000000006 # H1
  0.1420000000000002    0.6420000000000002    0.0280000000000000 # H2
  0.7430000000000002   -0.2430000000000002    0.7190000000000004 # H3
  0.6420000000000002   -0.1420000000000002    0.9719999999999999 # H4
 -0.2430000000000002    0.2569999999999998    0.2810000000000006 # H5
 -0.1420000000000002    0.3579999999999999    0.0280000000000000 # H6
  0.2569999999999998    0.2430000000000002    0.7190000000000004 # H7
  0.3579999999999999    0.1420000000000002    0.9719999999999999 # H8
