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{
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{
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0.479358 H\n0.405830 0.177140 0.979358 H\n0.296694 0.496018 0.468467 H\n0.496018 0.296694 0.968467 H\n0.492481 0.854229 0.694029 H\n0.854229 0.492481 0.194029 H\n0.377615 0.779105 0.650805 H\n0.779105 0.377615 0.150805 H\n0.486848 0.836551 0.588942 H\n0.836551 0.486848 0.088942 H\n0.296657 0.335285 0.281072 H\n0.335285 0.296657 0.781072 H\n0.285286 0.479534 0.326390 H\n0.479534 0.285286 0.826390 H\n0.166390 0.388516 0.336857 H\n0.388516 0.166390 0.836857 H\n0.965934 0.762448 0.323695 H\n0.762448 0.965934 0.823695 H\n0.063747 0.874125 0.307036 H\n0.874125 0.063747 0.807036 H\n0.921358 0.888552 0.260809 H\n0.888552 0.921358 0.760809 H\n0.977344 0.789089 0.465280 H\n0.789089 0.977344 0.965280 H\n0.943334 0.934664 0.507129 H\n0.934664 0.943334 0.007129 H\n0.076672 0.900109 0.450112 H\n0.900109 0.076672 0.950112 H\n0.536391 0.640265 0.531289 H\n0.640265 0.536391 0.031289 H\n0.426719 0.583124 0.593341 H\n0.583124 0.426719 0.093341 H\n0.578153 0.513937 0.593525 H\n0.513937 0.578153 0.093525 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C\n0.388153 0.262987 0.831950 C\n0.970839 0.857517 0.313644 C\n0.857517 0.970839 0.813644 C\n0.983459 0.884297 0.456930 C\n0.884297 0.983459 0.956930 C\n0.520320 0.597971 0.587913 C\n0.597971 0.520320 0.087913 C\n0.288789 0.207975 0.414244 C\n0.207975 0.288789 0.914244 C\n0.677155 0.700426 0.647435 C\n0.700426 0.677155 0.147435 C\n0.925682 0.056164 0.370814 C\n0.056164 0.925682 0.870814 C\n0.526595 0.622305 0.730957 C\n0.622305 0.526596 0.230957 C\n0.548582 0.679534 0.652974 N\n0.679534 0.548582 0.152974 N\n0.319483 0.333261 0.405520 N\n0.333261 0.319483 0.905520 N\n0.917129 0.925685 0.383408 N\n0.925685 0.917129 0.883408 N\n0.804540 0.428126 0.551919 O\n0.428126 0.804540 0.051919 O\n0.800104 0.172939 0.662220 O\n0.172939 0.800104 0.162220 O\n0.803307 0.430718 0.761133 O\n0.430718 0.803307 0.261133 O\n0.051200 0.447725 0.627517 O\n0.447725 0.051200 0.127517 O\n0.056597 0.192440 0.712969 O\n0.192440 0.056597 0.212969 O\n0.594810 0.086937 0.710254 F\n0.086937 0.594810 0.210254 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F\n0.146415 0.074799 0.052598 F\n0.705955 0.246492 0.838635 F\n0.246492 0.705955 0.338635 F\n0.956483 0.576768 0.479545 F\n0.576768 0.956483 0.979545 F\n0.726017 0.975389 0.596711 F\n0.975389 0.726017 0.096711 F\n0.635752 0.470520 0.877711 F\n0.470520 0.635752 0.377711 F\n0.727943 0.598351 0.442660 F\n0.598351 0.727943 0.942660 F\n0.060692 0.964281 0.653811 F\n0.964281 0.060692 0.153811 F\n0.524092 0.094562 0.566769 F\n0.094562 0.524092 0.066769 F\n",
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},
{
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"structure_string": "Mg16 Pd8\n1.0\n0.000000 6.070683 6.070683\n6.070683 0.000000 6.070683\n6.070683 6.070683 0.000000\nMg Pd\n16 8\ndirect\n0.194320 0.805680 0.194320 Mg\n0.194320 0.194320 0.805680 Mg\n0.194320 0.805680 0.805680 Mg\n0.055680 0.444320 0.055680 Mg\n0.805680 0.194320 0.194320 Mg\n0.055680 0.444320 0.444320 Mg\n0.444320 0.055680 0.444320 Mg\n0.444320 0.444320 0.055680 Mg\n0.805680 0.805680 0.194320 Mg\n0.444320 0.055680 0.055680 Mg\n0.625000 0.625000 0.625000 Mg\n0.805680 0.194320 0.805680 Mg\n0.055680 0.055680 0.444320 Mg\n0.125000 0.625000 0.625000 Mg\n0.625000 0.625000 0.125000 Mg\n0.625000 0.125000 0.625000 Mg\n0.842293 0.473121 0.842293 Pd\n0.842293 0.842293 0.842293 Pd\n0.473121 0.842293 0.842293 Pd\n0.407707 0.776879 0.407707 Pd\n0.842293 0.842293 0.473121 Pd\n0.776879 0.407707 0.407707 Pd\n0.407707 0.407707 0.407707 Pd\n0.407707 0.407707 0.776879 Pd\n",
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{
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{
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"structure_string": "Rb20 Ta4 Tl8 As16\n1.0\n8.020344 0.000000 0.000000\n0.000000 11.257784 0.000000\n0.000000 0.000000 19.487843\nRb Ta Tl As\n20 4 8 16\ndirect\n0.893275 0.750000 0.477853 Rb\n0.692796 0.024644 0.578084 Rb\n0.480109 0.945091 0.748505 Rb\n0.980109 0.054909 0.751495 Rb\n0.019891 0.945091 0.248505 Rb\n0.980109 0.445091 0.751495 Rb\n0.106725 0.250000 0.522147 Rb\n0.807204 0.475356 0.078084 Rb\n0.519891 0.054909 0.251495 Rb\n0.692796 0.475356 0.578084 Rb\n0.307204 0.524644 0.421916 Rb\n0.393275 0.250000 0.022147 Rb\n0.307204 0.975356 0.421916 Rb\n0.519891 0.445091 0.251495 Rb\n0.606725 0.750000 0.977853 Rb\n0.192796 0.524644 0.921916 Rb\n0.807204 0.024644 0.078084 Rb\n0.480109 0.554909 0.748505 Rb\n0.192796 0.975356 0.921916 Rb\n0.019891 0.554909 0.248505 Rb\n0.417316 0.750000 0.163119 Ta\n0.582684 0.250000 0.836881 Ta\n0.917316 0.250000 0.336881 Ta\n0.082684 0.750000 0.663119 Ta\n0.673931 0.750000 0.312602 Tl\n0.417560 0.750000 0.554473 Tl\n0.917560 0.250000 0.945527 Tl\n0.582440 0.250000 0.445527 Tl\n0.326069 0.250000 0.687398 Tl\n0.826069 0.750000 0.812602 Tl\n0.082440 0.750000 0.054473 Tl\n0.173931 0.250000 0.187398 Tl\n0.195552 0.930424 0.602608 As\n0.167831 0.750000 0.788748 As\n0.332169 0.750000 0.288748 As\n0.304448 0.930424 0.102608 As\n0.771244 0.750000 0.663876 As\n0.304448 0.569576 0.102608 As\n0.804448 0.069576 0.397392 As\n0.228756 0.250000 0.336124 As\n0.804448 0.430424 0.397392 As\n0.832169 0.250000 0.211252 As\n0.695552 0.069576 0.897392 As\n0.728756 0.750000 0.163876 As\n0.667831 0.250000 0.711252 As\n0.271244 0.250000 0.836124 As\n0.195552 0.569576 0.602608 As\n0.695552 0.430424 0.897392 As\n",
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