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"structure_string": "Ba1 Tl1 O2\n1.0\n3.746186 -0.000000 0.000000\n-0.000000 3.746186 0.000000\n-0.000000 -0.000000 5.601150\nBa Tl O\n1 1 2\ndirect\n0.500001 0.500001 0.525160 Ba\n0.000000 0.000000 0.034129 Tl\n0.000000 0.000000 0.442175 O\n0.500001 0.500001 0.008537 O\n",
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"structure_string": "Ir1 O2\n1.0\n3.310275 0.000000 0.000000\n0.000000 2.718944 0.000000\n0.000000 0.000000 3.799391\nIr O\n1 2\ndirect\n0.800002 0.000000 0.000000 Ir\n-0.700002 0.000000 0.290582 O\n-0.700002 0.000000 0.709419 O\n",
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"structure_string": "Ba1 Br1 F1\n1.0\n6.171874 0.000000 -0.000000\n0.000000 6.171874 -0.000000\n-0.000000 0.000000 9.138333\nBa Br F\n1 1 1\ndirect\n0.000000 0.000000 0.203392 Ba\n0.000000 0.000000 0.528357 Br\n0.000000 0.000000 -0.043558 F\n",
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