Ba 1.0000000000000000 -2.5127879963374999 2.5127879963374999 2.5127879963374999 2.5127879963374999 -2.5127879963374999 2.5127879963374999 2.5127879963374999 2.5127879963374999 -2.5127879963374999 Ba 1 Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000