$cell vectors 1.0 5.6399973461444119 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.6399973461444119 0.0000000000000000 0.0000000000000000 0.0000000000000000 9.0499957415969732 2 2 8 Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Al1 0.0000000000000000 0.0000000000000000 0.5000000000000000 # Al2 0.4999999999999995 0.0000000000000000 0.5000000000000000 # P1 0.0000000000000000 0.4999999999999995 0.0000000000000000 # P2 0.2000000000000004 0.2599999999999997 0.1270000000000003 # S1 0.7399999999999994 0.2000000000000004 0.6269999999999997 # S2 0.7999999999999995 0.7399999999999994 0.1270000000000003 # S3 0.2599999999999997 0.7999999999999995 0.6269999999999997 # S4 0.7999999999999995 0.2599999999999997 0.1270000000000003 # S5 0.2000000000000004 0.7399999999999994 0.1270000000000003 # S6 0.7399999999999994 0.7999999999999995 0.6269999999999997 # S7 0.2599999999999997 0.2000000000000004 0.6269999999999997 # S8