Fe12Co4N2 (Space group: I4/mmm #139, Crystal system: tetragonal, Point group: 4/mmm)
Supercell 3x3x3 of Fe6Co2N (Space group: I4/mmm, 864 symmetry operations)
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -141.9409 eV; energy change = -0.5000 eV; symmetry: I4/mmm → Cm