So I am having this trouble where my xml for elastic calculations are being computed to different space groups. I have looked at the visual images of both cells in cif form and also xml form (after being translated from cif to xml). sgroup is stating that the space group is coming out differently when its suppose to be P1. I'm confused as to why this may be when both crystals look exactly the same but the space groups differ. Any ideas?
Thank you everyone!