C 1.0000000000000000 2.5551607373187513 0.0000000000000000 0.0000000000000000 -1.2775803686593756 2.2128341092706152 0.0000000000000000 -0.0000000000000000 -0.0000000000000000 8.3331999999999979 C 4 Selective dynamics Cartesian -0.0000000000000000 -0.0000000000000000 2.0832999999999995 T T T 0.0000000000000000 0.0000000000000000 6.2498999999999985 T T T -0.0000000000000000 1.4752227395137445 2.0832999999999995 T T T 1.2775803686593754 0.7376113697568724 6.2498999999999985 T T T