Ba 1.0000000000000000 5.0255759926619525 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.0255759926619525 -0.0000000000000000 0.0000000000000000 -0.0000000000000000 5.0255759926619525 Ba 2 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T 2.5127879963309763 2.5127879963309763 2.5127879963309763 T T T