$cell vectors 1.0 7.7799963391850193 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.4899974167256769 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.6399964050608666 8 12 Direct 0.2500000000000003 0.0000000000000000 0.0000000000000000 # Pb1 0.2500000000000003 0.0000000000000000 0.5000000000000003 # Pb2 0.0000000000000000 0.4999999999999995 0.2499999999999999 # Pb3 0.7500000000000003 0.0000000000000000 0.0000000000000000 # Pb4 0.7500000000000003 0.0000000000000000 0.5000000000000003 # Pb5 0.4999999999999999 0.5000000000000006 0.7500000000000002 # Pb6 0.0000000000000000 0.5000000000000006 0.7500000000000002 # Pb7 0.4999999999999999 0.4999999999999995 0.2499999999999999 # Pb8 0.0000000000000000 0.2499999999999998 0.0000000000000000 # O1 0.0000000000000000 0.7500000000000004 0.5000000000000003 # O2 0.2500000000000003 0.2499999999999998 0.2499999999999999 # O3 0.2500000000000003 0.7500000000000004 0.2499999999999999 # O4 0.4999999999999999 0.7500000000000004 0.0000000000000000 # O5 0.4999999999999999 0.2499999999999998 0.5000000000000003 # O6 0.7500000000000003 0.7500000000000004 0.7500000000000002 # O7 0.7500000000000003 0.2499999999999998 0.7500000000000002 # O8 0.2500000000000003 0.2499999999999998 0.7500000000000002 # O9 0.2500000000000003 0.7500000000000004 0.7500000000000002 # O10 0.7500000000000003 0.7500000000000004 0.2499999999999999 # O11 0.7500000000000003 0.2499999999999998 0.2499999999999999 # O12