21 , similar results for the two non-equivalent sites have been found but site fractions are in reverse order. In this alloy, a different contaminating phase, possibly due to HfNi 3 , has been found from PAC measurements but is not found from XRD measurement. Density functional theory (DFT) based calculations of electric field gradient (EFG) and asymmetry parameter (η) at the sites of 181 Ta probe nucleus allowed us to assign the observed EFG fractions to the various lattice sites in (Zr/Hf) 8 Ni 21 compounds.