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"structure_string": "Ti2 S2 Cl2\n1.0\n4.834351 -0.000021 -0.000012\n0.000020 7.159944 -0.045445\n0.000018 0.021372 3.430949\nTi S Cl\n2 2 2\ndirect\n0.500000 0.889177 -0.000016 Ti\n0.000001 0.110822 0.500016 Ti\n0.500001 0.132622 0.500038 S\n-0.000000 0.867377 -0.000039 S\n0.499999 0.644606 0.499924 Cl\n0.000001 0.355393 0.000076 Cl\n",
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"structure_string": "Te4 Pd6 Pb4\n1.0\n6.038574 -0.000000 0.000000\n-0.000000 6.530267 0.000000\n0.000000 0.000000 8.705158\nTe Pd Pb\n4 6 4\ndirect\n0.250000 0.672431 0.540631 Te\n0.750000 0.327570 0.040631 Te\n0.250000 0.672431 0.959369 Te\n0.750000 0.327570 0.459369 Te\n0.000000 0.000000 0.500000 Pd\n0.750000 0.203547 0.750000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.250000 0.796453 0.250000 Pd\n0.250000 0.250651 0.250000 Pb\n0.750000 0.749350 0.750000 Pb\n0.250000 0.201130 0.750000 Pb\n0.750000 0.798870 0.250000 Pb\n",
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"structure_string": "Fe2 O2 F2\n1.0\n3.761854 0.000024 0.000058\n0.000036 5.719754 0.000003\n0.000044 0.000003 2.880559\nFe O F\n2 2 2\ndirect\n0.249999 0.146354 0.750001 Fe\n0.750000 0.853641 0.249999 Fe\n0.249999 0.921935 0.249999 O\n0.750000 0.078055 0.750001 O\n0.250006 0.365230 0.249987 F\n0.749993 0.634777 0.750013 F\n",
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