$cell vectors 1.0 3.6399982872279524 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.6399982872279524 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.2699975202448686 2 4 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Zr1 0.5000000000000000 0.5000000000000000 0.4999999999999995 # Zr2 0.0000000000000000 0.5000000000000000 0.1879999999999995 # O1 0.5000000000000000 0.0000000000000000 0.3119999999999999 # O2 0.5000000000000000 0.0000000000000000 0.8119999999999994 # O3 0.0000000000000000 0.5000000000000000 0.6879999999999999 # O4