Fe6BiS (auto-selected SG: P222 #16, calculated SG: Pmmm #47, optimized: 54 steps, cell relaxed (isotropic))
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -55.8778 eV; energy change = 0.0000 eV; symmetry: Pmmm → Pmmm