$cell vectors 1.0 7.8399963109525155 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.8399963109525155 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.8399963109525155 8 4 12 Direct 0.3175999999999998 0.3175999999999998 0.3175999999999998 # Sn1 0.6490000000000004 0.6490000000000004 0.6490000000000004 # Sn2 0.1824000000000001 0.6824000000000001 0.8175999999999998 # Sn3 0.8509999999999994 0.3509999999999996 0.1490000000000003 # Sn4 0.8175999999999998 0.1824000000000001 0.6824000000000001 # Sn5 0.1490000000000003 0.8509999999999994 0.3509999999999996 # Sn6 0.6824000000000001 0.8175999999999998 0.1824000000000001 # Sn7 0.3509999999999996 0.1490000000000003 0.8509999999999994 # Sn8 0.9889999999999998 0.9889999999999998 0.9889999999999998 # Cl1 0.5110000000000001 0.0110000000000002 0.4889999999999997 # Cl2 0.4889999999999997 0.5110000000000001 0.0110000000000002 # Cl3 0.0110000000000002 0.4889999999999997 0.5110000000000001 # Cl4 0.3749999999999996 0.1349999999999998 0.1189999999999998 # F1 0.1189999999999998 0.3749999999999996 0.1349999999999998 # F2 0.1349999999999998 0.1189999999999998 0.3749999999999996 # F3 0.3650000000000002 0.8810000000000001 0.8749999999999996 # F4 0.6189999999999999 0.1250000000000003 0.8650000000000000 # F5 0.8650000000000000 0.6189999999999999 0.1249999999999997 # F6 0.3810000000000001 0.6250000000000003 0.6349999999999998 # F7 0.8810000000000001 0.8749999999999996 0.3650000000000002 # F8 0.6349999999999998 0.3810000000000001 0.6250000000000003 # F9 0.1250000000000003 0.8650000000000000 0.6189999999999999 # F10 0.8749999999999996 0.3650000000000002 0.8810000000000001 # F11 0.6250000000000003 0.6349999999999998 0.3810000000000001 # F12