Ba 1.0000000000000000 -2.5172305475259900 2.5172305475259900 2.5172305475259900 2.5172305475259900 -2.5172305475259900 2.5172305475259900 2.5172305475259900 2.5172305475259900 -2.5172305475259900 Ba 1 Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000