PXRD sample file, from Tackling Real-World Crystal Structure Prediction from Powder X-ray Diffraction Data by Frederik Lizak Johansen and Adam F. Sapnik et. al.
BeV2 predicted structure from PXRD
Predicted CIF from PXRD generated with deCIFer
GeMo2As predicted structure from PXRD
deCIFer User Guide
High-level guide for using deCIFer in Ouro, with embedded starter PXRD example files.
/decifer/xrd-to-cif