$cell vectors 1.0 6.4299969744164143 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.4299969744164143 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.6299968803080569 8 8 Direct 0.0000000000000000 0.0000000000000000 0.2500000000000004 # Pd1 0.0000000000000000 0.4999999999999999 0.0000000000000000 # Pd2 0.4750000000000001 0.2499999999999999 0.0000000000000000 # Pd3 0.5249999999999998 0.7499999999999999 0.0000000000000000 # Pd4 0.7499999999999999 0.4750000000000001 0.4999999999999999 # Pd5 0.0000000000000000 0.0000000000000000 0.7500000000000003 # Pd6 0.4999999999999999 0.0000000000000000 0.4999999999999999 # Pd7 0.2499999999999999 0.5249999999999998 0.4999999999999999 # Pd8 0.2000000000000003 0.3199999999999997 0.2200000000000002 # S1 0.7999999999999997 0.6800000000000002 0.7799999999999998 # S2 0.6799999999999995 0.2000000000000003 0.7200000000000002 # S3 0.3199999999999997 0.7999999999999997 0.2799999999999997 # S4 0.7999999999999997 0.6799999999999995 0.2200000000000002 # S5 0.2000000000000003 0.3199999999999997 0.7799999999999998 # S6 0.6799999999999995 0.2000000000000003 0.2799999999999997 # S7 0.3199999999999997 0.7999999999999997 0.7200000000000002 # S8