$cell vectors 1.0 8.4189960385088316 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.4189960385088316 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.4189960385088316 8 8 12 Direct 0.5232000000000002 0.5232000000000002 0.5232000000000002 # K1 0.0232000000000002 0.0232000000000002 0.0232000000000002 # K2 0.4767999999999998 0.9767999999999998 0.5232000000000002 # K3 0.9767999999999998 0.4767999999999998 0.0232000000000002 # K4 0.5232000000000002 0.4767999999999998 0.9767999999999998 # K5 0.0232000000000002 0.9767999999999998 0.4767999999999998 # K6 0.9767999999999998 0.5232000000000002 0.4767999999999998 # K7 0.4767999999999998 0.0232000000000002 0.9767999999999998 # K8 0.2561999999999997 0.2561999999999997 0.2561999999999997 # Pb1 0.7561999999999998 0.7561999999999998 0.7561999999999998 # Pb2 0.7437999999999997 0.2437999999999997 0.2561999999999997 # Pb3 0.2438000000000003 0.7437999999999997 0.7561999999999998 # Pb4 0.2561999999999997 0.7437999999999997 0.2437999999999997 # Pb5 0.7561999999999998 0.2438000000000003 0.7437999999999997 # Pb6 0.2437999999999997 0.2562000000000004 0.7437999999999997 # Pb7 0.7437999999999997 0.7561999999999998 0.2437999999999997 # Pb8 0.2887000000000001 0.0000000000000000 0.2500000000000000 # O1 0.7887000000000002 0.5000000000000000 0.7500000000000000 # O2 0.2500000000000000 0.2887000000000001 0.0000000000000000 # O3 0.7500000000000000 0.7887000000000002 0.5000000000000000 # O4 0.0000000000000000 0.2500000000000000 0.2887000000000001 # O5 0.5000000000000000 0.7500000000000000 0.7887000000000002 # O6 0.2500000000000000 0.7113000000000000 0.5000000000000000 # O7 0.7500000000000000 0.2112999999999999 0.0000000000000000 # O8 0.5000000000000000 0.2500000000000000 0.7113000000000000 # O9 0.0000000000000000 0.7500000000000000 0.2112999999999999 # O10 0.7113000000000000 0.5000000000000000 0.2500000000000000 # O11 0.2112999999999999 0.0000000000000000 0.7500000000000000 # O12