My question is for cubic structures

Earlier, the structure of Cs2InAgCl6 from materials project is cubic [Fm-3m(225)] with angles 90 degrees, but now the angles are replace through 60 degrees, why the angles have changed?

Hi @fatima_aslam,

Welcome to the forum! The angles are simply now reported for the primitive rather than the conventional structure: both define an equivalent crystal. If you would like the conventional structure, download the “Conventional Standard” CIF file ( and this will have the 90º angles that may be more familiar. Note that regardless of setting (primitive or conventional) the crystal structure is the same.