Calculation of physical-space structure of icosahedral CdYb

Program code written in python for the calculation of the physical-space structure of icosahedral CdYb. Provided as Jupyter notebook (ipynb-format).

This code is a supplement to the paper "A parsimonious structure model for the icosahedral quasicrystal Cd5.7Yb" by M. Feuerbacher, to be published in Acta Cryst. A, 2026.

The new version includes changes added during the refereeing process of the paper (changed definition of the truncation of the central shell of the B occupation domain) and improvements in the code generating cif output.