Bonsoir Jean,
I've just committed a few changes for the cif import, in order to
correctly assign *missing* unit cell values when reading a CIF file,
depending on the spacegroup (the code I committed a few weeks ago always
defaulted to 90° for missing angle values, which would be wrong in many
cases).
I've tested a few cases and it seems to work correctly, but I'd
really like a second look on this (mostly in the ExtractUnitCell
function) especially on the rhomboedral/hexagonal choice. If I'm correct
the Hall symbol will only include R if the cell uses hexagonal axis.
Also, I don't know how to check what the unique axis is for
monoclinic cells ?
best regards,
Vincent
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