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{
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{
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{
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"structure_string": "Cr2 H34 N8 Cl4 O6\n1.0\n6.836277 0.000000 0.000000\n-2.142672 7.635915 0.000000\n-2.904432 -1.304056 9.951312\nCr H N Cl O\n2 34 8 4 6\ndirect\n0.988955 0.992345 0.850391 Cr\n0.011045 0.007655 0.149609 Cr\n0.539721 0.328055 0.592711 H\n0.460279 0.671945 0.407289 H\n0.744554 0.390147 0.548077 H\n0.255446 0.609853 0.451923 H\n0.606080 0.327684 0.158707 H\n0.393920 0.672316 0.841293 H\n0.672250 0.427614 0.306589 H\n0.327750 0.572386 0.693411 H\n0.255964 0.886671 0.734218 H\n0.744036 0.113329 0.265782 H\n0.191239 0.057699 0.663843 H\n0.808761 0.942301 0.336157 H\n0.362861 0.091621 0.814848 H\n0.637139 0.908379 0.185152 H\n0.711714 0.083305 0.642493 H\n0.288286 0.916695 0.357507 H\n0.761592 0.900245 0.592051 H\n0.238408 0.099755 0.407949 H\n0.604098 0.886211 0.687281 H\n0.395902 0.113789 0.312719 H\n0.267827 0.913362 0.040005 H\n0.732173 0.086638 0.959995 H\n0.110505 0.331105 0.279296 H\n0.889495 0.668895 0.720704 H\n0.243375 0.345099 0.169435 H\n0.756625 0.654901 0.830565 H\n0.985956 0.335094 0.119192 H\n0.014044 0.664906 0.880808 H\n0.922696 0.700478 0.242470 H\n0.077304 0.299522 0.757530 H\n0.786611 0.662799 0.081497 H\n0.213389 0.337201 0.918503 H\n0.045830 0.681291 0.129047 H\n0.954170 0.318709 0.870953 H\n0.224097 0.004041 0.752301 N\n0.775903 0.995959 0.247699 N\n0.739188 0.966504 0.671396 N\n0.260812 0.033496 0.328604 N\n0.068789 0.269295 0.851038 N\n0.931211 0.730705 0.148962 N\n0.902288 0.712706 0.817657 N\n0.097712 0.287294 0.182343 N\n0.808908 0.674205 0.452794 Cl\n0.191092 0.325795 0.547206 Cl\n0.651739 0.330051 0.957667 Cl\n0.348261 0.669949 0.042333 Cl\n0.680673 0.310404 0.604131 O\n0.319327 0.689596 0.395869 O\n0.604296 0.310615 0.251733 O\n0.395704 0.689385 0.748267 O\n0.800045 0.990195 0.967695 O\n0.199955 0.009805 0.032305 O\n",
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{
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"structure_string": "Sc2 Al6 C6\n1.0\n1.682130 -2.913535 0.000000\n1.682130 2.913535 0.000000\n0.000000 0.000000 16.785589\nSc Al C\n2 6 6\ndirect\n0.000000 0.000000 0.001139 Sc\n0.000000 0.000000 0.501139 Sc\n0.333333 0.666667 0.371786 Al\n0.666667 0.333333 0.629979 Al\n0.666667 0.333333 0.871786 Al\n0.333333 0.666667 0.756681 Al\n0.333333 0.666667 0.129979 Al\n0.666667 0.333333 0.256681 Al\n0.333333 0.666667 0.250109 C\n0.666667 0.333333 0.750109 C\n0.666667 0.333333 0.410440 C\n0.333333 0.666667 0.910440 C\n0.666667 0.333333 0.083866 C\n0.333333 0.666667 0.583866 C\n",
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{
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"structure_string": "Ba4 Zn4 Cl16\n1.0\n6.593737 0.000000 0.000000\n0.000000 6.942367 0.000000\n0.000000 0.000000 15.597305\nBa Zn Cl\n4 4 16\ndirect\n0.500000 0.750000 0.629079 Ba\n0.000000 0.250000 0.870921 Ba\n0.500000 0.250000 0.370921 Ba\n0.000000 0.750000 0.129079 Ba\n0.000000 0.750000 0.390565 Zn\n0.500000 0.250000 0.109435 Zn\n0.000000 0.250000 0.609435 Zn\n0.500000 0.750000 0.890565 Zn\n0.853809 0.473644 0.700128 Cl\n0.353809 0.526356 0.799872 Cl\n0.646191 0.973644 0.799872 Cl\n0.146191 0.026356 0.700128 Cl\n0.146191 0.526356 0.299872 Cl\n0.646191 0.473644 0.200128 Cl\n0.353809 0.026356 0.200128 Cl\n0.853809 0.973644 0.299872 Cl\n0.754132 0.592931 0.962389 Cl\n0.254132 0.407069 0.537611 Cl\n0.745868 0.092931 0.537611 Cl\n0.245868 0.907069 0.962389 Cl\n0.245868 0.407069 0.037611 Cl\n0.745868 0.592931 0.462389 Cl\n0.254132 0.907069 0.462389 Cl\n0.754132 0.092931 0.037611 Cl\n",
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{
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"structure_string": "Ti4 Fe2 O10\n1.0\n3.757844 0.000000 0.000000\n-1.878922 4.961347 0.000000\n0.000000 0.000000 10.240318\nTi Fe O\n4 2 10\ndirect\n0.132829 0.265658 0.066986 Ti\n0.867170 0.734343 0.933014 Ti\n0.867170 0.734343 0.566986 Ti\n0.132829 0.265658 0.433014 Ti\n0.807409 0.614821 0.250000 Fe\n0.192590 0.385179 0.750000 Fe\n0.314080 0.628159 0.558753 O\n0.685919 0.371841 0.441247 O\n0.685919 0.371841 0.058753 O\n0.314080 0.628159 0.941247 O\n0.045104 0.090208 0.611573 O\n0.954895 0.909792 0.388427 O\n0.795032 0.590066 0.750000 O\n0.204967 0.409934 0.250000 O\n0.954895 0.909792 0.111573 O\n0.045104 0.090208 0.888427 O\n",
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{
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{
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{
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{
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"structure_string": "Mg2 B8 Os6\n1.0\n1.460685 -5.957768 0.000000\n1.460685 5.957768 0.000000\n0.000000 0.000000 9.807322\nMg B Os\n2 8 6\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.376651 0.623349 0.250000 B\n0.623349 0.376651 0.750000 B\n0.654199 0.345801 0.250000 B\n0.345801 0.654199 0.750000 B\n0.840902 0.159098 0.889441 B\n0.159098 0.840902 0.389441 B\n0.159098 0.840902 0.110559 B\n0.840902 0.159098 0.610559 B\n0.800290 0.199710 0.107080 Os\n0.983598 0.016402 0.750000 Os\n0.016402 0.983598 0.250000 Os\n0.199710 0.800290 0.892920 Os\n0.199710 0.800290 0.607080 Os\n0.800290 0.199710 0.392920 Os\n",
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}