Ca O 1.0000000000000000 4.1081613074020051 -0.0000000000000000 0.0000000000000000 -2.0540806537010026 3.5577720550544285 0.0000000000000000 -0.0000000000000000 0.0000000000000000 4.7971925567683149 Ca O 2 2 Selective dynamics Cartesian -0.0000000205408067 2.3718480485621920 1.1992981391920787 T T T 2.0540806331601957 1.1859240302107164 3.5978944175762351 T T T -0.0000000205408067 2.3718480485621920 3.5978944175762351 T T T 2.0540806331601957 1.1859240302107164 1.1992981391920787 T T T