{"action":"opened","issue":{"url":"https://api.github.com/repos/OpenChemistry/avogadrolibs/issues/153","repository_url":"https://api.github.com/repos/OpenChemistry/avogadrolibs","labels_url":"https://api.github.com/repos/OpenChemistry/avogadrolibs/issues/153/labels{/name}","comments_url":"https://api.github.com/repos/OpenChemistry/avogadrolibs/issues/153/comments","events_url":"https://api.github.com/repos/OpenChemistry/avogadrolibs/issues/153/events","html_url":"https://github.com/OpenChemistry/avogadrolibs/issues/153","id":198159102,"number":153,"title":"spacegroupdata.h has two identical entries and two invalid caracters","user":{"login":"bonfus","id":15189887,"avatar_url":"https://avatars.githubusercontent.com/u/15189887?v=3","gravatar_id":"","url":"https://api.github.com/users/bonfus","html_url":"https://github.com/bonfus","followers_url":"https://api.github.com/users/bonfus/followers","following_url":"https://api.github.com/users/bonfus/following{/other_user}","gists_url":"https://api.github.com/users/bonfus/gists{/gist_id}","starred_url":"https://api.github.com/users/bonfus/starred{/owner}{/repo}","subscriptions_url":"https://api.github.com/users/bonfus/subscriptions","organizations_url":"https://api.github.com/users/bonfus/orgs","repos_url":"https://api.github.com/users/bonfus/repos","events_url":"https://api.github.com/users/bonfus/events{/privacy}","received_events_url":"https://api.github.com/users/bonfus/received_events","type":"User","site_admin":false},"labels":[],"state":"open","locked":false,"assignee":null,"assignees":[],"milestone":null,"comments":0,"created_at":"2016-12-30T15:20:07Z","updated_at":"2016-12-30T15:20:07Z","closed_at":null,"body":"I was trying to (re)use the nice spacegroup data of this project in another code when I noticed that:\r\n\r\n- there are two illegal '#' characters in the symmetry operation entries of space_group_transforms\r\n- the symmetry operations of hall numbers 506 and 515 are identical. I suspect that 506 is wrong.\r\n- I also suspect that there is a mistake in the entry 450 (see [bilbao](http://www.cryst.ehu.es/cgi-bin/cryst/programs//nph-trgen?gnum=160&what=gp&trmat=2/3a+1/3b+1/3c,-1/3a+1/3b+1/3c,-1/3a-2/3b+1/3c&unconv=R%203%20m%20:R&from=ita) )\r\n\r\nHope this helps,\r\nbest wishes for the new year,\r\nPietro\r\n"}}
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