Draw polyhedron bug with atomic mixing
bobleesj opened this issue · comments
plot_polyhedron fails to draw a polyhedron with files with atomic mixing.
261241.cif
mixing type: full_occupancy_atomic_mixing
250685.cif
mixing type: full_occupancy_atomic_mixing
Cause of problem
There are duplicate points during symmetry operations when there are two sites that contain the identical fractional coordinates.
How to fix
Use only unique points and combine the site labels as Er1, Er2.
Fixed in #9