$cell vectors 1.0 5.3929974623682275 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.3929974623682275 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.3929974623682275 1 3 4 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # V1 0.5000000000000004 0.0000000000000000 0.0000000000000000 # Cu1 0.0000000000000000 0.5000000000000004 0.0000000000000000 # Cu2 0.0000000000000000 0.0000000000000000 0.5000000000000004 # Cu3 0.2371999999999996 0.2372000000000005 0.2371999999999996 # S1 0.2372000000000005 0.7628000000000003 0.7628000000000003 # S2 0.7628000000000003 0.7628000000000003 0.2371999999999996 # S3 0.7628000000000003 0.2372000000000005 0.7628000000000003 # S4