$cell vectors 1.0 6.1699970967572737 0.0000000000000000 0.0000000000000000 0.0000000000000000 6.1699970967572737 0.0000000000000000 0.0000000000000000 0.0000000000000000 8.5639959702802742 16 4 8 Direct 0.2719999999999997 0.0109999999999999 0.0090000000000001 # O1 0.2919999999999998 0.5209999999999999 0.0150000000000001 # O2 0.9889999999999993 0.2719999999999997 0.7589999999999996 # O3 0.4790000000000001 0.2919999999999998 0.7649999999999995 # O4 0.7279999999999994 0.9890000000000003 0.5089999999999999 # O5 0.7080000000000003 0.4790000000000001 0.5150000000000000 # O6 0.0109999999999999 0.7279999999999994 0.2589999999999997 # O7 0.5209999999999999 0.7080000000000003 0.2649999999999997 # O8 0.2719999999999997 0.9890000000000003 0.4909999999999999 # O9 0.2919999999999998 0.4790000000000001 0.4849999999999998 # O10 0.7280000000000003 0.0109999999999999 0.9909999999999998 # O11 0.7080000000000003 0.5209999999999999 0.9849999999999998 # O12 0.0109999999999999 0.2719999999999997 0.2410000000000002 # O13 0.5209999999999999 0.2919999999999998 0.2350000000000002 # O14 0.9889999999999993 0.7280000000000003 0.7410000000000001 # O15 0.4790000000000001 0.7080000000000003 0.7349999999999994 # O16 0.5000000000000000 0.2469999999999997 0.0000000000000000 # Ti1 0.7529999999999996 0.5000000000000000 0.7500000000000002 # Ti2 0.5000000000000000 0.7529999999999996 0.4999999999999999 # Ti3 0.2469999999999997 0.5000000000000000 0.2499999999999996 # Ti4 0.0000000000000000 0.2419999999999996 0.0000000000000000 # Mn1 0.2409999999999998 0.2409999999999998 0.6250000000000001 # Mn2 0.7579999999999997 0.0000000000000000 0.7500000000000002 # Mn3 0.7589999999999995 0.2409999999999998 0.3749999999999998 # Mn4 0.0000000000000000 0.7579999999999997 0.4999999999999999 # Mn5 0.7589999999999995 0.7589999999999995 0.1250000000000001 # Mn6 0.2419999999999996 0.0000000000000000 0.2499999999999996 # Mn7 0.2409999999999998 0.7590000000000003 0.8749999999999997 # Mn8