Is there any software available to create these structures? I tried diamond software. I want to create a FeO6 octahedral cage of BiFeO3. I have attached an image.
If you have the structure information, then you should be able to construct your images like the one you have shown. Diamond should do the job. But also freeware products such as PCW should work!
As long as you have a crystal information file (cif) you can use any number of programs. CrystalMaker and Diamond are good for this. Balls and Sticks is a nice freeware program that will also make the image you are looking for.
Many software could help you if you have the refined data. The free VICS-ii software is quite easy and convenient. http://www.geocities.jp/kmo_mma/crystal/en/vics.html