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{
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{
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"formula_full": "Cs2 In1 Au1 F6",
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"formula_anonymous": "ABC2D6",
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{
"id": "mp-1226894",
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{
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{
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"structure_string": "Cu8 C8 S8 N8\n1.0\n6.658893 0.000000 0.000000\n0.000000 7.222703 0.000000\n0.000000 0.000000 11.004753\nCu C S N\n8 8 8 8\ndirect\n0.636316 0.843910 0.684095 Cu\n0.636316 0.343910 0.815905 Cu\n0.863684 0.343910 0.315905 Cu\n0.363684 0.156090 0.315905 Cu\n0.136316 0.156090 0.815905 Cu\n0.363684 0.656090 0.184095 Cu\n0.136316 0.656090 0.684095 Cu\n0.863684 0.843910 0.184095 Cu\n0.639716 0.204570 0.078181 C\n0.860284 0.204570 0.578181 C\n0.860284 0.704570 0.921819 C\n0.139716 0.795430 0.421819 C\n0.639716 0.704570 0.421819 C\n0.360284 0.795430 0.921819 C\n0.360284 0.295430 0.578181 C\n0.139716 0.295430 0.078181 C\n0.173812 0.382478 0.216466 S\n0.826188 0.617522 0.783534 S\n0.673812 0.117522 0.216466 S\n0.826188 0.117522 0.716466 S\n0.326188 0.882478 0.783534 S\n0.673812 0.617522 0.283534 S\n0.326188 0.382478 0.716466 S\n0.173812 0.882478 0.283534 S\n0.382025 0.731908 0.019371 N\n0.882025 0.768092 0.019371 N\n0.882025 0.268092 0.480629 N\n0.617975 0.268092 0.980629 N\n0.117975 0.731908 0.519371 N\n0.617975 0.768092 0.519371 N\n0.382025 0.231908 0.480629 N\n0.117975 0.231908 0.980629 N\n",
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{
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"structure_string": "Be4 H56 I16 O72\n1.0\n7.887940 0.000000 0.000000\n0.000000 8.655217 0.000000\n0.000000 0.000000 24.874926\nBe H I O\n4 56 16 72\ndirect\n0.298059 0.881302 0.750000 Be\n0.798059 0.618698 0.750000 Be\n0.701941 0.118698 0.250000 Be\n0.201941 0.381302 0.250000 Be\n0.851649 0.109496 0.832027 H\n0.351649 0.390504 0.667973 H\n0.148351 0.890504 0.332027 H\n0.648351 0.609496 0.167973 H\n0.148351 0.890504 0.167973 H\n0.648351 0.609496 0.332027 H\n0.851649 0.109496 0.667973 H\n0.351649 0.390504 0.832027 H\n0.090989 0.052774 0.717376 H\n0.590989 0.447226 0.782624 H\n0.909011 0.947226 0.217376 H\n0.409011 0.552774 0.282624 H\n0.909011 0.947226 0.282624 H\n0.409011 0.552774 0.217376 H\n0.090989 0.052774 0.782624 H\n0.590989 0.447226 0.717376 H\n0.541623 0.999459 0.782695 H\n0.041623 0.500541 0.717305 H\n0.458377 0.000541 0.282695 H\n0.958377 0.499459 0.217305 H\n0.458377 0.000541 0.217305 H\n0.958377 0.499459 0.282695 H\n0.541623 0.999459 0.717305 H\n0.041623 0.500541 0.782695 H\n0.175564 0.788191 0.671245 H\n0.675564 0.711809 0.828755 H\n0.824436 0.211809 0.171245 H\n0.324436 0.288191 0.328755 H\n0.824436 0.211809 0.328755 H\n0.324436 0.288191 0.171245 H\n0.175564 0.788191 0.828755 H\n0.675564 0.711809 0.671245 H\n0.375934 0.771808 0.666454 H\n0.875934 0.728192 0.833546 H\n0.624066 0.228192 0.166454 H\n0.124066 0.271808 0.333546 H\n0.624066 0.228192 0.333546 H\n0.124066 0.271808 0.166454 H\n0.375934 0.771808 0.833546 H\n0.875934 0.728192 0.666454 H\n0.488876 0.646085 0.599218 H\n0.988876 0.853915 0.900782 H\n0.511124 0.353915 0.099218 H\n0.011124 0.146085 0.400782 H\n0.511124 0.353915 0.400782 H\n0.011124 0.146085 0.099218 H\n0.488876 0.646085 0.900782 H\n0.988876 0.853915 0.599218 H\n0.542322 0.823809 0.597299 H\n0.042322 0.676191 0.902701 H\n0.457678 0.176191 0.097299 H\n0.957678 0.323809 0.402701 H\n0.457678 0.176191 0.402701 H\n0.957678 0.323809 0.097299 H\n0.542322 0.823809 0.902701 H\n0.042322 0.676191 0.597299 H\n0.034767 0.291593 0.883446 I\n0.534767 0.208407 0.616554 I\n0.965233 0.708407 0.383446 I\n0.465233 0.791593 0.116554 I\n0.965233 0.708407 0.116554 I\n0.465233 0.791593 0.383446 I\n0.034767 0.291593 0.616554 I\n0.534767 0.208407 0.883446 I\n0.265168 0.520185 0.992435 I\n0.765168 0.979815 0.507565 I\n0.734832 0.479815 0.492435 I\n0.234832 0.020185 0.007565 I\n0.734832 0.479815 0.007565 I\n0.234832 0.020185 0.492435 I\n0.265168 0.520185 0.507565 I\n0.765168 0.979815 0.992435 I\n0.821506 0.371315 0.883180 O\n0.321506 0.128685 0.616820 O\n0.178494 0.628685 0.383180 O\n0.678494 0.871315 0.116820 O\n0.178494 0.628685 0.116820 O\n0.678494 0.871315 0.383180 O\n0.821506 0.371315 0.616820 O\n0.321506 0.128685 0.883180 O\n0.139252 0.413364 0.833438 O\n0.639252 0.086636 0.666562 O\n0.860748 0.586636 0.333438 O\n0.360748 0.913364 0.166562 O\n0.860748 0.586636 0.166562 O\n0.360748 0.913364 0.333438 O\n0.139252 0.413364 0.666562 O\n0.639252 0.086636 0.833438 O\n0.978448 0.128344 0.830902 O\n0.478448 0.371656 0.669098 O\n0.021552 0.871656 0.330902 O\n0.521552 0.628344 0.169098 O\n0.021552 0.871656 0.169098 O\n0.521552 0.628344 0.330902 O\n0.978448 0.128344 0.669098 O\n0.478448 0.371656 0.830902 O\n0.277157 0.729833 0.993531 O\n0.777157 0.770167 0.506469 O\n0.722843 0.270167 0.493531 O\n0.222843 0.229833 0.006469 O\n0.722843 0.270167 0.006469 O\n0.222843 0.229833 0.493531 O\n0.277157 0.729833 0.506469 O\n0.777157 0.770167 0.993531 O\n0.437423 0.479809 0.943993 O\n0.937423 0.020191 0.556007 O\n0.562577 0.520191 0.443993 O\n0.062577 0.979809 0.056007 O\n0.562577 0.520191 0.056007 O\n0.062577 0.979809 0.443993 O\n0.437423 0.479809 0.556007 O\n0.937423 0.020191 0.943993 O\n0.082718 0.503335 0.944338 O\n0.582718 0.996665 0.555662 O\n0.917282 0.496665 0.444338 O\n0.417282 0.003335 0.055662 O\n0.917282 0.496665 0.055662 O\n0.417282 0.003335 0.444338 O\n0.082718 0.503335 0.555662 O\n0.582718 0.996665 0.944338 O\n0.140327 0.001909 0.750000 O\n0.640327 0.498091 0.750000 O\n0.859673 0.998091 0.250000 O\n0.359673 0.501909 0.250000 O\n0.491087 0.949058 0.750000 O\n0.991087 0.550942 0.750000 O\n0.508913 0.050942 0.250000 O\n0.008913 0.449058 0.250000 O\n0.281298 0.786820 0.693405 O\n0.781298 0.713180 0.806595 O\n0.718702 0.213180 0.193405 O\n0.218702 0.286820 0.306595 O\n0.718702 0.213180 0.306595 O\n0.218702 0.286820 0.193405 O\n0.281298 0.786820 0.806595 O\n0.781298 0.713180 0.693405 O\n0.520159 0.735904 0.622131 O\n0.020159 0.764096 0.877869 O\n0.479841 0.264096 0.122131 O\n0.979841 0.235904 0.377869 O\n0.479841 0.264096 0.377869 O\n0.979841 0.235904 0.122131 O\n0.520159 0.735904 0.877869 O\n0.020159 0.764096 0.622131 O\n",
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{
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"structure_string": "Li6 Ti12 Zn6 O32\n1.0\n8.470413 0.000000 0.000000\n0.000000 8.471761 0.000000\n0.000000 0.010476 8.474113\nLi Ti Zn O\n6 12 6 32\ndirect\n0.624960 0.125299 0.624503 Li\n0.124960 0.874701 0.375497 Li\n0.502085 0.748036 0.498247 Li\n0.375276 0.625165 0.874966 Li\n0.875276 0.374835 0.125034 Li\n0.002085 0.251964 0.501753 Li\n0.869564 0.130840 0.872238 Ti\n0.118878 0.126086 0.135565 Ti\n0.373215 0.115068 0.383220 Ti\n0.873215 0.884932 0.616780 Ti\n0.618878 0.873914 0.864435 Ti\n0.369564 0.869160 0.127762 Ti\n0.133666 0.628226 0.623533 Ti\n0.877844 0.620356 0.370474 Ti\n0.624754 0.619704 0.122845 Ti\n0.124754 0.380296 0.877155 Ti\n0.377844 0.379644 0.629526 Ti\n0.633666 0.371774 0.376467 Ti\n0.499120 0.249058 0.001430 Zn\n0.247857 0.000593 0.750729 Zn\n0.747857 0.999407 0.249271 Zn\n0.999120 0.750942 0.998570 Zn\n0.750739 0.502230 0.747787 Zn\n0.250739 0.497770 0.252213 Zn\n0.609019 0.143240 0.372432 O\n0.372808 0.138918 0.607199 O\n0.112932 0.136849 0.887071 O\n0.142678 0.126746 0.355591 O\n0.892582 0.122023 0.110108 O\n0.362755 0.113469 0.136256 O\n0.642274 0.110499 0.878120 O\n0.876968 0.105059 0.642333 O\n0.376968 0.894941 0.357667 O\n0.142274 0.889501 0.121880 O\n0.862755 0.886531 0.863744 O\n0.392582 0.877977 0.889892 O\n0.642678 0.873254 0.644409 O\n0.612932 0.863151 0.112929 O\n0.872808 0.861082 0.392801 O\n0.109019 0.856760 0.627568 O\n0.388481 0.641949 0.127630 O\n0.627505 0.639840 0.892834 O\n0.887567 0.637879 0.612450 O\n0.861231 0.627399 0.142196 O\n0.107597 0.623556 0.389113 O\n0.638339 0.610941 0.361195 O\n0.355851 0.608093 0.623676 O\n0.123447 0.607965 0.861607 O\n0.623447 0.392035 0.138393 O\n0.855851 0.391907 0.376324 O\n0.138339 0.389059 0.638805 O\n0.607597 0.376444 0.610887 O\n0.361231 0.372601 0.857804 O\n0.387567 0.362121 0.387550 O\n0.127505 0.360160 0.107166 O\n0.888481 0.358051 0.872370 O\n",
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