diff --git a/avogadro/core/spacegroups.cpp b/avogadro/core/spacegroups.cpp index d96b239a6..4448fbfb2 100644 --- a/avogadro/core/spacegroups.cpp +++ b/avogadro/core/spacegroups.cpp @@ -27,7 +27,7 @@ SpaceGroups::~SpaceGroups() {} unsigned short SpaceGroups::hallNumber(const std::string& spaceGroup) { unsigned short hall = 0; // can't find anything - const unsigned short hall_count = 530; + const unsigned short hall_count = 531; // 530 but first one is empty // some files use " instead of = for the space group symbol std::string sg = spaceGroup; std::replace(sg.begin(), sg.end(), '"', '=');