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{
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"structure_string": "Cs8 Hg4 Br16\n1.0\n10.502378 0.000000 0.000000\n0.000000 8.159137 0.000000\n0.000000 8.127248 14.448223\nCs Hg Br\n8 4 16\ndirect\n0.381930 0.841948 0.398955 Cs\n0.618070 0.158052 0.601045 Cs\n0.118070 0.841948 0.898955 Cs\n0.881930 0.158052 0.101045 Cs\n0.515878 0.410235 0.829099 Cs\n0.484122 0.589765 0.170901 Cs\n0.984122 0.410235 0.329099 Cs\n0.015878 0.589765 0.670901 Cs\n0.277036 0.177278 0.075863 Hg\n0.722964 0.822722 0.924137 Hg\n0.222964 0.177278 0.575863 Hg\n0.777036 0.822722 0.424137 Hg\n0.528592 0.155508 0.088881 Br\n0.471408 0.844492 0.911119 Br\n0.971408 0.155508 0.588881 Br\n0.028592 0.844492 0.411119 Br\n0.176305 0.304647 0.907474 Br\n0.823695 0.695353 0.092526 Br\n0.323695 0.304647 0.407474 Br\n0.676305 0.695353 0.592526 Br\n0.175139 0.397019 0.136614 Br\n0.824861 0.602981 0.863386 Br\n0.324861 0.397019 0.636614 Br\n0.675139 0.602981 0.363386 Br\n0.186395 0.829385 0.182256 Br\n0.813605 0.170615 0.817744 Br\n0.313605 0.829385 0.682256 Br\n0.686395 0.170615 0.317744 Br\n",
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"formula_full": "Cs8 Hg4 Br16",
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{
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"structure_string": "Mn7 Pb1 O12\n1.0\n-3.784650 3.784650 3.784650\n3.784650 -3.784650 3.784650\n3.784650 3.784650 -3.784650\nMn Pb O\n7 1 12\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Pb\n0.181582 0.868780 0.687197 O\n0.818418 0.131220 0.312803 O\n0.818418 0.505615 0.687197 O\n0.181582 0.494385 0.312803 O\n0.868780 0.687197 0.181582 O\n0.131220 0.312803 0.818418 O\n0.505615 0.687197 0.818418 O\n0.494385 0.312803 0.181582 O\n0.687197 0.181582 0.868780 O\n0.312803 0.818418 0.131220 O\n0.687197 0.818418 0.505615 O\n0.312803 0.181582 0.494385 O\n",
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"formula_full": "Mn7 Pb1 O12",
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{
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"structure_string": "K8 Te4 S12\n1.0\n9.304366 0.000000 0.000000\n0.000000 6.487033 0.000000\n0.000000 6.249903 13.441400\nK Te S\n8 4 12\ndirect\n0.112359 0.007039 0.746903 K\n0.387641 0.007039 0.246903 K\n0.887641 0.992961 0.253097 K\n0.612359 0.992961 0.753097 K\n0.368836 0.662918 0.584107 K\n0.868836 0.337082 0.915893 K\n0.631164 0.337082 0.415893 K\n0.131164 0.662918 0.084107 K\n0.682176 0.720685 0.080799 Te\n0.182176 0.279315 0.419201 Te\n0.317824 0.279315 0.919201 Te\n0.817824 0.720685 0.580799 Te\n0.857447 0.072621 0.589203 S\n0.642553 0.072621 0.089203 S\n0.142553 0.927379 0.410797 S\n0.357447 0.927379 0.910797 S\n0.663373 0.814557 0.440621 S\n0.163373 0.185443 0.059379 S\n0.336627 0.185443 0.559379 S\n0.836627 0.814557 0.940621 S\n0.659325 0.530119 0.717328 S\n0.159325 0.469881 0.782672 S\n0.340675 0.469881 0.282672 S\n0.840675 0.530119 0.217328 S\n",
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{
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"structure_string": "Na1 Sr4 B3 N6\n1.0\n-3.795745 3.795745 3.795745\n3.795745 -3.795745 3.795745\n3.795745 3.795745 -3.795745\nNa Sr B N\n1 4 3 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 0.000000 0.500000 B\n0.000000 0.500000 0.500000 B\n0.500000 0.500000 0.000000 B\n0.000000 0.677545 0.677545 N\n0.000000 0.322455 0.322455 N\n0.677545 0.000000 0.677545 N\n0.322455 0.000000 0.322455 N\n0.677545 0.677545 0.000000 N\n0.322455 0.322455 0.000000 N\n",
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}