5 0 6 0 0 B-(BEDT-TTF)2IBR2 26 1 6.593 8.975 15.093 93.790 94.970 110.540 1 0.4663 -0.2595 0.4475 S1 1 0.1029 -0.1444 0.4277 S2 1 0.2801 -0.4301 0.6217 S3 1 -0.0817 -0.3117 0.6003 S4 1 0.6482 -0.1383 0.2845 S5 1 0.2177 0.0033 0.2619 S6 1 0.1959 -0.5386 0.7996 S7 1 -0.2389 -0.3973 0.7726 S8 2 0.2306 -0.2521 0.4874 C1 2 0.1531 -0.3244 0.5601 C2 2 0.4464 -0.1575 0.3362 C3 2 0.2798 -0.1046 0.3451 C4 2 0.1154 -0.4517 0.7087 C5 2 -0.0486 -0.3972 0.6993 C6 2 0.6312 0.0229 0.2263 C7 2 0.4268 0.0233 0.1917 C8 2 0.0400 -0.4922 0.8821 C9 2 -0.1860 -0.5212 0.8527 C10 3 0.7181 0.0276 0.1747 H1 3 0.7024 0.1220 0.2682 H2 3 0.4544 0.1271 0.1654 H3 3 0.3665 -0.0664 0.1426 H4 3 0.1121 -0.3763 0.9043 H5 3 0.0449 -0.5576 0.9328 H6 3 -0.2549 -0.6349 0.8258 H7 3 -0.2578 -0.5065 0.9066 H8 S 3 16 10 3 0 2.122 -1.47 3 1 1.827 -0.808 3 2 1.5 -0.4 C 2 6 2 2 0 1.625 -1.573 2 1 1.625 -0.838 H 1 1 0 1 0 1.0 -1.0 0 48 0 10 96. 1.75 0.01 1 1