Ba 1.0000000000000000 2.2751930981152100 -3.9407500429655800 0.0000000000000000 2.2751930981152100 3.9407500429655800 0.0000000000000000 0.0000000000000000 0.0000000000000000 7.3942452112729500 Ba 2 Cartesian 2.2751930981152113 1.3135833476552186 1.8485613028182379 2.2751930981152100 -1.3135833476552197 5.5456839084547136