$cell vectors 1.0 7.3489965419885257 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.5149964638785907 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.8939962855432588 2 2 8 20 Direct 0.0000000000000000 0.0000000000000000 0.9830000000000002 # Ba1 0.4999999999999996 0.4999999999999997 0.0169999999999997 # Ba2 0.0000000000000000 0.4999999999999997 0.1589999999999999 # Fe1 0.4999999999999996 0.0000000000000000 0.8410000000000000 # Fe2 0.6889999999999996 0.2240000000000002 0.3219999999999999 # Si1 0.2610000000000001 0.1880000000000004 0.2970000000000000 # Si2 0.3110000000000004 0.7759999999999997 0.3219999999999999 # Si3 0.7390000000000000 0.8119999999999996 0.2970000000000000 # Si4 0.1890000000000000 0.2760000000000001 0.6779999999999999 # Si5 0.7609999999999997 0.3119999999999999 0.7030000000000000 # Si6 0.8110000000000001 0.7239999999999999 0.6779999999999999 # Si7 0.2390000000000003 0.6879999999999999 0.7030000000000000 # Si8 0.2079999999999997 0.2669999999999998 0.4790000000000001 # O1 0.4739999999999996 0.2209999999999997 0.2550000000000003 # O2 0.2360000000000003 0.9780000000000002 0.2850000000000003 # O3 0.2320000000000000 0.6249999999999999 0.2070000000000001 # O4 0.1429999999999999 0.2819999999999998 0.1480000000000000 # O5 0.7920000000000003 0.7330000000000002 0.4790000000000001 # O6 0.5259999999999997 0.7789999999999995 0.2550000000000003 # O7 0.7639999999999997 0.0219999999999998 0.2850000000000003 # O8 0.7680000000000000 0.3750000000000001 0.2070000000000001 # O9 0.8570000000000001 0.7180000000000001 0.1480000000000000 # O10 0.7080000000000001 0.2329999999999998 0.5209999999999998 # O11 0.9740000000000000 0.2790000000000000 0.7449999999999997 # O12 0.7360000000000000 0.5220000000000001 0.7150000000000003 # O13 0.7319999999999997 0.8749999999999998 0.7929999999999998 # O14 0.6430000000000002 0.2179999999999998 0.8519999999999999 # O15 0.2919999999999999 0.7670000000000002 0.5209999999999998 # O16 0.0260000000000001 0.7209999999999999 0.7449999999999997 # O17 0.2640000000000001 0.4779999999999999 0.7150000000000003 # O18 0.2680000000000003 0.1250000000000003 0.7929999999999998 # O19 0.3569999999999997 0.7820000000000001 0.8519999999999999 # O20