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.
NaB2 predicted structure from PXRD
Predicted CIF from PXRD generated with deCIFer
deCIFer User Guide
High-level guide for using deCIFer in Ouro, with embedded starter PXRD example files.
/decifer/xrd-to-cif