orbitalsNonRel = {"H_1s","Fe_2s","Fe_2p","Fe_3s","Fe_3d"}
orbitalsRel = {"H_1s12","Fe_2s12","Fe_3s12","Fe_2p12","Fe_2p32","Fe_3d32","Fe_3d52"}

IndNonRel, NFNonRel = CreateAtomicIndicesList(orbitalsNonRel)
IndRel, NFRel = CreateAtomicIndicesList(orbitalsRel)

print("\nIndNonRel:")
print(IndNonRel)

print("\nNFNonRel:")
print(NFNonRel)

print("\nIndRel:")
print(IndRel)

print("\nNFRel:")
print(NFRel)