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"structure_string": "Li14 I2 N4\n1.0\n6.861212 -0.000000 3.961323\n2.287070 6.468812 3.961323\n0.000000 0.000000 7.922644\nLi I N\n14 2 4\ndirect\n0.642895 0.642895 0.107104 Li\n0.892895 0.357105 0.892894 Li\n0.892895 0.892895 0.357104 Li\n0.357105 0.357105 0.892895 Li\n0.357105 0.892895 0.357104 Li\n0.107105 0.642895 0.107105 Li\n0.642895 0.107105 0.642895 Li\n0.642895 0.107105 0.107105 Li\n0.107105 0.107105 0.642895 Li\n0.357105 0.892895 0.892894 Li\n0.892895 0.357105 0.357104 Li\n0.625000 0.625000 0.624999 Li\n0.375000 0.375000 0.375000 Li\n0.107105 0.642895 0.642895 Li\n0.875000 0.875000 0.874999 I\n0.125000 0.125000 0.125000 I\n0.000000 0.500000 -0.000000 N\n0.500000 0.000000 -0.000000 N\n-0.000000 -0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n",
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"structure_string": "Al8 O12\n1.0\n0.000000 5.396913 0.002284\n8.286348 0.000000 0.000000\n0.000000 -2.610614 -4.825187\nAl O\n8 12\ndirect\n0.949068 0.956929 0.232656 Al\n0.949068 0.543072 0.732657 Al\n0.533867 0.656277 0.238984 Al\n0.466133 0.156276 0.261017 Al\n0.533868 0.843724 0.738984 Al\n0.466134 0.343724 0.761018 Al\n0.050932 0.456929 0.267345 Al\n0.050933 0.043071 0.767345 Al\n0.825904 0.390378 0.894282 O\n0.749903 0.479167 0.328375 O\n0.250097 0.979167 0.171626 O\n0.680066 0.794760 0.098748 O\n0.319935 0.205240 0.901253 O\n0.319935 0.294760 0.401253 O\n0.250098 0.520833 0.671627 O\n0.174097 0.609622 0.105719 O\n0.680066 0.705240 0.598748 O\n0.174097 0.890379 0.605720 O\n0.749903 0.020833 0.828375 O\n0.825903 0.109622 0.394282 O\n",
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"structure_string": "Nb4 Se4 Cl12\n1.0\n6.191459 0.000000 -0.961761\n0.000000 6.733385 0.000000\n-0.001336 0.000000 12.039999\nNb Se Cl\n4 4 12\ndirect\n0.073921 0.354599 0.145600 Nb\n0.073920 0.645402 0.645600 Nb\n0.926079 0.354599 0.354400 Nb\n0.926079 0.645402 0.854400 Nb\n0.174201 0.068743 0.302246 Se\n0.825799 0.068743 0.197754 Se\n0.174201 0.931258 0.802246 Se\n0.825798 0.931258 0.697754 Se\n0.747117 0.551595 0.195334 Cl\n0.841537 0.320203 0.955385 Cl\n0.747117 0.448406 0.695334 Cl\n0.841538 0.679798 0.455385 Cl\n0.361856 0.794517 0.567029 Cl\n0.638144 0.794517 0.932972 Cl\n0.158462 0.679798 0.044615 Cl\n0.252883 0.448406 0.804666 Cl\n0.361856 0.205484 0.067029 Cl\n0.638144 0.205484 0.432972 Cl\n0.252883 0.551595 0.304666 Cl\n0.158462 0.320203 0.544615 Cl\n",
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{
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"structure_string": "Hf8 N8 O4\n1.0\n5.424987 -0.002009 0.000241\n2.680381 4.769544 -0.004217\n2.629906 1.433983 9.725389\nHf N O\n8 8 4\ndirect\n0.695548 0.686789 0.962619 Hf\n0.829375 0.816726 0.535829 Hf\n0.413576 0.441537 0.713921 Hf\n0.919638 0.953099 0.213474 Hf\n0.088706 0.067682 0.786387 Hf\n0.564576 0.579999 0.285019 Hf\n0.198052 0.168562 0.465083 Hf\n0.321636 0.309866 0.035881 Hf\n0.921934 0.326788 0.120236 N\n0.575459 0.173918 0.369090 N\n0.622097 0.918782 0.125339 N\n0.167771 0.868857 0.376473 N\n0.417133 0.829633 0.621423 N\n0.386668 0.074156 0.874213 N\n0.087091 0.676028 0.874392 N\n0.112289 0.425671 0.628040 N\n0.867973 0.561303 0.381515 O\n0.682257 0.374773 0.875310 O\n0.811204 0.126721 0.626842 O\n0.317032 0.619098 0.128912 O\n",
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"structure_string": "Li4 Fe3 Te1 O12\n1.0\n0.000000 4.788770 -0.012102\n8.097378 0.000000 0.000000\n0.000000 -0.075143 -4.917047\nLi Fe Te O\n4 3 1 12\ndirect\n0.000000 0.698616 0.000000 Li\n0.500000 0.802056 -0.000000 Li\n0.000000 0.333537 0.500000 Li\n0.500000 0.204215 0.500000 Li\n0.500000 0.424671 -0.000000 Fe\n0.000000 0.897085 0.500000 Fe\n0.500000 0.606791 0.500000 Fe\n0.000000 0.101778 0.000000 Te\n0.794054 0.918051 0.175583 O\n0.304945 0.433983 0.313486 O\n0.207480 0.079392 0.336285 O\n0.246664 0.755231 0.357349 O\n0.753336 0.755231 0.642651 O\n0.301205 0.587089 0.817630 O\n0.695055 0.433983 0.686514 O\n0.205947 0.918051 0.824417 O\n0.698796 0.587089 0.182370 O\n0.252030 0.262420 0.839046 O\n0.792520 0.079392 0.663715 O\n0.747971 0.262420 0.160954 O\n",
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"structure_string": "Mn6 Te2 O12\n1.0\n6.270241 0.012496 -0.059940\n-0.060635 6.269959 -0.059940\n0.012352 0.012496 6.270515\nMn Te O\n6 2 12\ndirect\n0.440452 0.952042 0.252152 Mn\n0.747848 0.559549 0.047958 Mn\n0.047959 0.747849 0.559548 Mn\n0.559549 0.047959 0.747848 Mn\n0.952042 0.252153 0.440451 Mn\n0.252152 0.440452 0.952041 Mn\n0.000000 0.000000 0.000000 Te\n0.500000 0.500001 0.500000 Te\n0.565322 0.429099 0.799084 O\n0.570902 0.200916 0.434678 O\n0.911399 0.045080 0.700520 O\n0.799085 0.565322 0.429098 O\n0.429099 0.799085 0.565321 O\n0.299479 0.088602 0.954920 O\n0.954921 0.299480 0.088601 O\n0.088602 0.954921 0.299479 O\n0.700521 0.911400 0.045079 O\n0.045079 0.700521 0.911398 O\n0.434679 0.570902 0.200915 O\n0.200915 0.434679 0.570901 O\n",
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