README information file for 
"Structure of Strained Low-Dimensional Sb by In Situ Surface X-Ray Diffraction"
DOI  https://doi.org/10.1002/pssb.202100432
There are three subfolders, one for each sample:
S1a= Sample 1a- InAs(111)B substrate with some Sb substition on As top sites
S1c= Sample 1c- 19 Bilayers of Sb on top of InAs(111)B substrate
S2b = Sample 2b- 4 Bilayers of Sb on top of InAs(111)B substrate
Included in each folder are the four files required to load each individual fit
___.bul = the bulk model of the substrate used in experiment
___.fit = the fit file with the model of the thin Sb films, and including substrate layers used for the fitting
___.dat = reduced SXRD dataset for the sample
___.par = parameter file of the best fit structure
Loading these four files into the ROD fitting program (https://www.esrf.fr/computing/scientific/joint_projects/ANA-ROD/) will show the SXRD fits reported in the paper.
Also included are:
___.xyz = structure file of the final fit model
comp___.lis= comparison file comparing the theoretical and measured structure factors
fitresult_####.txt  = output given by ROD when running a fitting cycle with the model loaded in