<div>Dear Max,</div><div><br></div><div>You can use the following 14 atoms coordinates for spinel AB2O4 (fd-3m origin choice 2), replace "x" with oxygen parameter from 32e wykoff site (0.2627 for your case)</div><div><br></div><div>A                   0.125                   0.125                   0.125</div><div>A                   0.875                   0.375                   0.375</div><div>B                   0.5                     0.5                     0.5</div><div>B                     0.25                    0.75                    0</div><div>B                       0.75                    0                       0.25</div><div>B                    0                       0.25                    0.75</div><div>O                    (x)                     (x)                     (x)</div><div>O                     (1.25-x)                        (x+0.5)                 (1.75-x)</div><div>O                        (x+0.75)                        (x+0.25)                        (1.5-x)</div><div>O                 (x+0.25)                        (1.5-x)                 (1.75+x)</div><div>O                        (1.75-x)                        (1.25-x)                        (x+0.5)</div><div>O                 (x+0.5)                 (1.75-x)                        (1.25-x)</div><div>O                        (1-x)                   (1-x)                   (1-x)</div><div>O                   (1.5-x)                 (x+0.75)                        (x+0.25)</div><div><br></div><div><br></div><div>to be used with  ibarv = 2 and ATOMIC_POSITIONS alat (not crystal) , I didn't test it in QE, please confirm if it works!</div><div><br></div><div>Youssef Aharbil,</div><div>Laboratory of Physics and Chemistry of Materials</div><div>Faculty of sciences Ben msik, Casablanca</div><div>Morocco</div>