$cell vectors 1.0 3.0199985789638522 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.0199985789638522 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.3099975014231937 2 2 Direct 0.4999999999999991 0.0000000000000000 0.0000000000000000 # Pd1 0.0000000000000000 0.4999999999999991 0.5000000000000000 # Pd2 0.0000000000000000 0.0000000000000000 0.2500000000000000 # O1 0.0000000000000000 0.0000000000000000 0.7500000000000001 # O2