$cell vectors 1.0 12.5999940711736826 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.5999940711736826 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.9999981178329143 31 9 Direct 0.5000000000000002 0.5000000000000002 0.0000000000000000 # Au1 1.0000000000000000 0.5000000000000002 0.0000000000000000 # Au2 0.0999999999999999 0.2000000000000001 0.0000000000000000 # Au3 0.3000000000000000 0.0999999999999999 0.0000000000000000 # Au4 0.2000000000000001 0.3999999999999999 0.0000000000000000 # Au5 0.1500000000000002 0.0499999999999999 0.5000000000000007 # Au6 0.2500000000000001 0.2500000000000001 0.5000000000000007 # Au7 0.4499999999999998 0.1500000000000002 0.5000000000000007 # Au8 0.3500000000000000 0.4499999999999998 0.5000000000000007 # Au9 0.9000000000000000 0.8000000000000002 0.0000000000000000 # Au10 0.7000000000000001 0.9000000000000000 0.0000000000000000 # Au11 0.8000000000000002 0.6000000000000000 0.0000000000000000 # Au12 0.8500000000000001 0.9500000000000001 0.5000000000000007 # Au13 0.7499999999999998 0.7499999999999998 0.5000000000000007 # Au14 0.5500000000000002 0.8500000000000001 0.5000000000000007 # Au15 0.6500000000000000 0.5500000000000002 0.5000000000000007 # Au16 0.5000000000000002 1.0000000000000000 0.0000000000000000 # Au17 0.8000000000000002 0.0999999999999999 0.0000000000000000 # Au18 0.9000000000000000 0.3000000000000000 0.0000000000000000 # Au19 0.6000000000000000 0.2000000000000001 0.0000000000000000 # Au20 0.9500000000000001 0.1500000000000002 0.5000000000000007 # Au21 0.7499999999999998 0.2500000000000001 0.5000000000000007 # Au22 0.8500000000000001 0.4500000000000003 0.5000000000000007 # Au23 0.5500000000000002 0.3500000000000000 0.5000000000000007 # Au24 0.2000000000000001 0.9000000000000000 0.0000000000000000 # Au25 0.0999999999999999 0.7000000000000001 0.0000000000000000 # Au26 0.3999999999999999 0.8000000000000002 0.0000000000000000 # Au27 0.0499999999999999 0.8500000000000001 0.5000000000000007 # Au28 0.2500000000000001 0.7499999999999998 0.5000000000000007 # Au29 0.1500000000000002 0.5500000000000002 0.5000000000000007 # Au30 0.4500000000000003 0.6500000000000000 0.5000000000000007 # Au31 0.0000000000000000 0.0000000000000000 0.0000000000000000 # Mn1 0.3999999999999999 0.3000000000000000 0.0000000000000000 # Mn2 0.0499999999999999 0.3500000000000000 0.5000000000000007 # Mn3 0.6000000000000000 0.7000000000000001 0.0000000000000000 # Mn4 0.9500000000000001 0.6500000000000000 0.5000000000000007 # Mn5 0.7000000000000001 0.3999999999999999 0.0000000000000000 # Mn6 0.6500000000000000 0.0499999999999999 0.5000000000000007 # Mn7 0.3000000000000000 0.6000000000000000 0.0000000000000000 # Mn8 0.3500000000000004 0.9500000000000001 0.5000000000000007 # Mn9