The software ReciPro makes various crystallographic calculations, visualizes a crystal structure, simulates a diffraction pattern and high-resolution TEM image, indexes diffraction spots, plots stereographic projection, and so on.
In space group 225 (Fm-3m) and 227 (Fd-3m), translation symmetry equivalent positions can be expressed in this pattern:
(x, y, z)
(x, y+1/2, z+1/2)
(x+1/2, y, z+1/2)
(x+1/2, y+1/2, z)
In the CIF of crystals with space group 225 or 227 exported with ReciPro ver4.779, the translation symmetry equivalent positions are expressed as:
(x, y, z)
(x, y+1/2, z+1/2)
(x+1/2, y, z+1/2)
(x, y+1/2, z+1/2)
the 4th position is mistaken as the same as the 2nd.
Not for sure but other cubic-F space groups might also suffer from the same error.
In space group 225 (Fm-3m) and 227 (Fd-3m), translation symmetry equivalent positions can be expressed in this pattern: (x, y, z) (x, y+1/2, z+1/2) (x+1/2, y, z+1/2) (x+1/2, y+1/2, z)
In the CIF of crystals with space group 225 or 227 exported with ReciPro ver4.779, the translation symmetry equivalent positions are expressed as: (x, y, z) (x, y+1/2, z+1/2) (x+1/2, y, z+1/2) (x, y+1/2, z+1/2) the 4th position is mistaken as the same as the 2nd.
Not for sure but other cubic-F space groups might also suffer from the same error.