Origin choise

[Arthur Adriaens]

I had downloaded the 1010977 file, it says it has Wyckoff multiplicity and symbol 2 c, however the coordinates listed didn’t seem to correspond with the ones on cryst.ehu.es. This was however because I chose the Standard/Default setting which has origin choise 2, while the positions correspond to choice 1 found in ITA Settings.

[Ruben Quiroz]

I have the same problem. I however don’t find ITA settings. Where is that, in the COD database, in the Cif file or on the B ilbao website?

Cheers
Rubén

[Cedric]

Had the same problem. @Rubén, it’s on the bilbao website https://www.cryst.ehu.es/cryst/get_wp.html. You enter the space group and underneath that box is a button ‘ITA settings’. You press that, and it gives you the correct result.

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