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"structure_string": "Tl1 C1 N1\n1.0\n2.701540 1.559735 2.311414\n-2.701540 1.559735 2.311414\n-0.000000 -3.119470 2.311414\nTl C N\n1 1 1\ndirect\n0.979567 0.979567 0.979570 Tl\n0.567958 0.567958 0.567960 C\n0.397473 0.397473 0.397474 N\n",
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{
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"structure_string": "Tl4 C2 S6\n1.0\n6.016027 -0.000000 2.321011\n2.677563 5.571936 2.017029\n0.037893 -0.034018 8.859013\nTl C S\n4 2 6\ndirect\n0.522304 0.687211 0.631301 Tl\n0.477695 0.312789 0.368699 Tl\n0.159184 0.187211 0.131301 Tl\n0.840815 0.812790 0.868698 Tl\n0.947985 0.750000 0.250000 C\n0.052015 0.250000 0.750000 C\n0.197321 0.689392 0.081843 S\n0.680669 0.750000 0.250000 S\n0.802678 0.310608 0.918157 S\n0.968555 0.810608 0.418157 S\n0.031444 0.189392 0.581843 S\n0.319331 0.250000 0.750000 S\n",
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{
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"structure_string": "Tl4 Cd4 Br12\n1.0\n4.168031 -0.000000 0.000000\n0.000000 9.393703 0.000000\n0.000000 0.000000 15.454657\nTl Cd Br\n4 4 12\ndirect\n0.250000 0.933253 0.324207 Tl\n0.750000 0.066746 0.675793 Tl\n0.250000 0.433254 0.175793 Tl\n0.750000 0.566746 0.824208 Tl\n0.250000 0.667323 0.557386 Cd\n0.750000 0.332677 0.442614 Cd\n0.250000 0.167323 0.942614 Cd\n0.750000 0.832677 0.057386 Cd\n0.250000 0.291278 0.784990 Br\n0.750000 0.708722 0.215011 Br\n0.750000 0.836741 0.493370 Br\n0.250000 0.163259 0.506630 Br\n0.750000 0.336741 0.006630 Br\n0.750000 0.474174 0.605476 Br\n0.750000 0.974174 0.894524 Br\n0.250000 0.025825 0.105476 Br\n0.750000 0.208722 0.284990 Br\n0.250000 0.525825 0.394524 Br\n0.250000 0.663258 0.993370 Br\n0.250000 0.791277 0.715011 Br\n",
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{
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"structure_string": "Tl4 Cd4 Cl12\n1.0\n4.000012 0.000000 0.000000\n-0.000000 8.917183 0.000000\n0.000000 0.000000 14.852913\nTl Cd Cl\n4 4 12\ndirect\n0.250000 0.929397 0.323815 Tl\n0.750000 0.070602 0.676184 Tl\n0.250000 0.429398 0.176184 Tl\n0.750000 0.570602 0.823815 Tl\n0.250000 0.668536 0.557113 Cd\n0.750000 0.331464 0.442886 Cd\n0.250000 0.168536 0.942886 Cd\n0.750000 0.831464 0.057114 Cd\n0.250000 0.291007 0.787254 Cl\n0.750000 0.708993 0.212746 Cl\n0.750000 0.834759 0.494907 Cl\n0.250000 0.165240 0.505093 Cl\n0.750000 0.334760 0.005093 Cl\n0.750000 0.474976 0.602887 Cl\n0.750000 0.974976 0.897112 Cl\n0.250000 0.025024 0.102887 Cl\n0.750000 0.208993 0.287254 Cl\n0.250000 0.525024 0.397113 Cl\n0.250000 0.665240 0.994907 Cl\n0.250000 0.791006 0.712746 Cl\n",
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{
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"structure_string": "Tl1 Cd1 F1\n1.0\n4.995321 -0.000000 -0.000000\n-2.497660 4.326075 0.000000\n-0.000000 -0.000000 3.140482\nTl Cd F\n1 1 1\ndirect\n0.666666 0.333333 0.000000 Tl\n0.000000 0.000000 0.000000 Cd\n0.333333 0.666666 0.000000 F\n",
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{
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"structure_string": "Tl1 Cd1 F4\n1.0\n4.154931 -0.000000 -0.000000\n0.000000 4.154931 0.000000\n0.000000 0.000000 6.484615\nTl Cd F\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.000000 0.672667 F\n0.000000 0.000000 0.327333 F\n0.500000 0.000000 0.000000 F\n0.000000 0.500000 0.000000 F\n",
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{
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}