Cd 1.0000000000000000 3.1947083601115560 -0.0000000000000000 0.0000000000000000 -1.5973541800557780 2.7666985975391318 0.0000000000000000 0.0000000000000000 0.0000000000000000 5.2169369075561800 Cd 2 Selective dynamics Cartesian -0.0000000159735423 1.8444657409150824 1.3042342268890446 T T T 1.5973541640822362 0.9222328750687058 3.9127026806671341 T T T