$cell vectors 1.0 11.0119948183940206 0.0000000000000000 0.0000000000000000 0.0000000000000000 11.0119948183940206 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.7269973052072745 20 12 Direct 0.0000000000000000 0.4999999999999998 0.2499999999999998 # Pu1 0.0845000000000001 0.2183999999999998 0.0000000000000000 # Pu2 0.4999999999999998 0.0000000000000000 0.7500000000000001 # Pu3 0.5844999999999998 0.7184000000000000 0.5000000000000006 # Pu4 0.0000000000000000 0.4999999999999998 0.7500000000000001 # Pu5 0.9155000000000000 0.7815999999999997 0.0000000000000000 # Pu6 0.4999999999999998 0.0000000000000000 0.2499999999999998 # Pu7 0.4154999999999998 0.2816000000000000 0.5000000000000006 # Pu8 0.7815999999999997 0.0845000000000001 0.0000000000000000 # Pu9 0.2816000000000000 0.5844999999999998 0.5000000000000006 # Pu10 0.2183999999999998 0.9155000000000000 0.0000000000000000 # Pu11 0.7184000000000000 0.4154999999999998 0.5000000000000006 # Pu12 0.0845000000000001 0.7815999999999997 0.5000000000000006 # Pu13 0.5844999999999998 0.2816000000000000 0.0000000000000000 # Pu14 0.9155000000000000 0.2183999999999998 0.5000000000000006 # Pu15 0.4155000000000001 0.7184000000000000 0.0000000000000000 # Pu16 0.2183999999999998 0.0845000000000001 0.5000000000000006 # Pu17 0.7184000000000000 0.5844999999999998 0.0000000000000000 # Pu18 0.7815999999999997 0.9155000000000000 0.5000000000000006 # Pu19 0.2816000000000000 0.4154999999999998 0.0000000000000000 # Pu20 0.0000000000000000 0.0000000000000000 0.2499999999999998 # Ir1 0.1582999999999998 0.6583000000000000 0.0000000000000000 # Ir2 0.4999999999999998 0.4999999999999998 0.7500000000000001 # Ir3 0.6583000000000000 0.1583000000000003 0.5000000000000006 # Ir4 0.0000000000000000 0.0000000000000000 0.7500000000000001 # Ir5 0.8416999999999997 0.3417000000000000 0.0000000000000000 # Ir6 0.4999999999999998 0.4999999999999998 0.2499999999999998 # Ir7 0.3417000000000000 0.8416999999999997 0.5000000000000006 # Ir8 0.3417000000000000 0.1582999999999998 0.0000000000000000 # Ir9 0.8416999999999997 0.6583000000000000 0.5000000000000006 # Ir10 0.6583000000000000 0.8416999999999997 0.0000000000000000 # Ir11 0.1583000000000003 0.3417000000000000 0.5000000000000006 # Ir12