Multi-alloy construction

Knowing the space group and lattice constant of Ce2Fe14B, I would like to build the crystal structure of Ce17Fe78B6 (whose space group is the same as Ce2Fe14B), which in turn builds the crystal structure of Ce17Fe76.5Co1Zr0.5B6. Obviously, atomic substitutions are used in there, with Co and Zr replacing some of the Fe, so I would appreciate a little input from you.