Ca O 1.0000000000000000 4.0229162544655006 0.0000000000000000 0.0000000000000000 -2.0114581272327503 3.4839476736644674 0.0000000000000000 -0.0000000000000000 0.0000000000000000 4.7041034545513369 Ca O 2 2 Selective dynamics Cartesian -0.0000000201145818 2.3226317940561376 1.1760258636378342 T T T 2.0114581071181683 1.1613159028346480 3.5280775909135023 T T T -0.0000000201145818 2.3226317940561376 3.5280775909135023 T T T 2.0114581071181683 1.1613159028346480 1.1760258636378342 T T T