$cell vectors 1.0 4.3499979531432977 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.3499979531432977 0.0000000000000000 0.0000000000000000 0.0000000000000000 13.7299935394614856 4 4 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Au1 0.5000000000000000 0.0000000000000000 0.4999999999999999 # Au2 0.5000000000000000 0.5000000000000000 0.0000000000000000 # Au3 0.0000000000000000 0.5000000000000000 0.4999999999999999 # Au4 0.2500000000000001 0.2500000000000001 0.1530000000000000 # I1 0.7500000000000001 0.7500000000000001 0.8469999999999996 # I2 0.2500000000000001 0.2500000000000001 0.6529999999999999 # I3 0.7500000000000001 0.7500000000000001 0.3469999999999999 # I4