Effective mass of holes was measured using DFT. The hole value is different for each band, is there a way to get the average or standard value of this value?

I found that there is a type of substance in which two atoms exist in the same coordinate position in the lattice, for example, FeF3(H2O)3, here is its crystal structure file from Crystallography Open Database, the O atom and F atom exist at the same coordinate position. It also shows the F atom ...

I used py4vasp to calculate structure from data and then I displayed them in a structure viewer (Viewer3d) by this line: calc.structure[:].plot(). It returns a visualization of the structures as a 3d figure. How I can save this 3d figure? Also, If I read the structual information into a dictionar...