Crystallographic site multiplicity ($m$)

Crystallographic site multiplicity is the number of distinct equivalent positions generated from one representative site by the space group within the conventional unit cell. It is a property of the Wyckoff position. If the site-symmetry group leaves a representative position fixed, fewer distinct positions are generated than at a general site.^[ref]

The relation can be writtenwhere $m_{\mathrm{general}}$ is the general-position multiplicity and $|G_{\mathrm{site}}|$ is the order of the site-symmetry group. For an original compatible example, general multiplicity8 and site-symmetry order2 give $m=4$.

Multiplicity is distinct from crystallographic site occupancy $q$. For one atom type represented at equivalent positions, its average contribution to the atom count per unit cell isA multiplicity8 site occupied to0.25 contributes2 atoms per cell on average. A fully occupied multiplicity4 site contributes4. If these are separate inequivalent sites for the same element, their total contribution is6.

Full occupancy at a symmetry-special site is still $q=1$, rather than automatically a fractional value. The symmetry reduction is already counted by $m$. Dividing occupancy again by the site-symmetry order would count that reduction twice. These distinctions connect a list of representative coordinates to the chemical contents of the unit cell.