To draw crystal structures of various iron oxide forms using Vesta software, you can use the CIF file of the crystal structure you want to draw. You can refine your XRD data by Rietveld analysis using Full Prof software suite. After refinement, generate output .cif file. Use this CIF file as an input file in Vesta software, it creates unit cell of desired compound. You can draw ball and stick model of any structure using CIF file with the help of VESTA software. CIF file already contains all necessary information within it. You have to only import the CIF file in the VESTA software to get molecular structure (How can I draw a crystal structure using............and Crystal Structure in Vesta...........).
I hope this helps! Let me know if you have any other questions.
Source:
(1) How can I draw a crystal structure using VESTA? | ResearchGate. https://www.researchgate.net/post/How-can-I-draw-a-crystal-structure-using-VESTA.
(2) Crystal Structure in Vesta | ResearchGate. https://www.researchgate.net/post/Crystal-Structure-in-Vesta.
(3) How to draw a crystal structure using vesta software? - YouTube. https://www.youtube.com/watch?v=VTfzaj6T4CI.
(4) Tutorial of VESTA software for creating crystal structures. https://www.youtube.com/watch?v=F7d1YJa7KX4.