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"structure_string": "Au2 Br2 F12\n1.0\n0.000000 5.265502 -0.133457\n5.644145 0.000000 0.000000\n0.000000 -1.522114 -8.489606\nAu Br F\n2 2 12\ndirect\n0.250145 0.243327 0.096246 Au\n0.749856 0.743326 0.903755 Au\n0.460303 0.258563 0.667961 Br\n0.539698 0.758563 0.332040 Br\n0.810557 0.589687 0.424040 F\n0.189444 0.089687 0.575961 F\n0.707424 0.035289 0.372299 F\n0.292576 0.535289 0.627702 F\n0.819197 0.549615 0.090109 F\n0.180804 0.049615 0.909892 F\n0.711592 0.019286 0.031074 F\n0.288409 0.519286 0.968927 F\n0.680478 0.933059 0.705741 F\n0.319522 0.433060 0.294260 F\n0.792846 0.461169 0.770192 F\n0.207155 0.961169 0.229809 F\n",
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"structure_string": "Au2 Br2 O4\n1.0\n-2.179247 2.985111 -0.044083\n3.434401 2.665063 -0.982431\n-3.374354 -2.681929 -8.962433\nAu Br O\n2 2 4\ndirect\n-0.000001 0.500000 0.500000 Au\n0.500000 -0.000000 0.500000 Au\n0.249999 0.356760 0.713520 Br\n0.750000 0.643239 0.286480 Br\n0.255285 0.894528 0.066935 O\n0.755284 0.827592 0.933064 O\n0.744714 0.105471 0.933064 O\n0.244715 0.172406 0.066935 O\n",
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{
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{
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