$cell vectors 1.0 6.7539968219608788 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.7539968219608788 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.1099980660733237 4 Direct 0.2199999999999999 0.2799999999999997 0.0000000000000000 # S1 0.7199999999999995 0.2199999999999999 0.5000000000000000 # S2 0.7799999999999999 0.7199999999999995 0.0000000000000000 # S3 0.2799999999999997 0.7799999999999999 0.5000000000000000 # S4