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{
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"structure_string": "Lu4 Ti2 O10\n1.0\n2.017982 -5.371265 0.000000\n2.017982 5.371265 0.000000\n0.000000 0.000000 10.360855\nLu Ti O\n4 2 10\ndirect\n0.142541 0.857459 0.431723 Lu\n0.142541 0.857459 0.068277 Lu\n0.857459 0.142541 0.568277 Lu\n0.857459 0.142541 0.931723 Lu\n0.175551 0.824449 0.750000 Ti\n0.824449 0.175551 0.250000 Ti\n0.051173 0.948827 0.877055 O\n0.051173 0.948827 0.622945 O\n0.705530 0.294470 0.412102 O\n0.705530 0.294470 0.087898 O\n0.267760 0.732240 0.250000 O\n0.732240 0.267760 0.750000 O\n0.294470 0.705530 0.587898 O\n0.294470 0.705530 0.912102 O\n0.948827 0.051173 0.122945 O\n0.948827 0.051173 0.377055 O\n",
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{
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{
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{
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"structure_string": "Ca2 Sb6 P6 O26\n1.0\n6.977765 0.000000 0.000000\n0.000000 8.204796 0.000000\n0.000000 2.345523 10.920597\nCa Sb P O\n2 6 6 26\ndirect\n0.750000 0.374274 0.177710 Ca\n0.250000 0.625726 0.822290 Ca\n0.250000 0.648733 0.230642 Sb\n0.750000 0.351267 0.769358 Sb\n0.250000 0.239266 0.439206 Sb\n0.500000 0.000000 0.000000 Sb\n0.750000 0.760734 0.560794 Sb\n0.000000 0.000000 0.000000 Sb\n0.250000 0.808162 0.513476 P\n0.750000 0.191838 0.486524 P\n0.250000 0.261313 0.763132 P\n0.750000 0.738687 0.236868 P\n0.750000 0.685108 0.893754 P\n0.250000 0.314892 0.106246 P\n0.750000 0.677041 0.755357 O\n0.574296 0.228892 0.399271 O\n0.250000 0.194186 0.646596 O\n0.558793 0.774830 0.914329 O\n0.750000 0.302180 0.583697 O\n0.750000 0.129756 0.887661 O\n0.250000 0.697820 0.416303 O\n0.058793 0.225170 0.085671 O\n0.250000 0.993312 0.438701 O\n0.750000 0.006688 0.561299 O\n0.076951 0.374746 0.779886 O\n0.250000 0.870244 0.112339 O\n0.576951 0.625254 0.220114 O\n0.750000 0.504603 0.969022 O\n0.750000 0.805814 0.353404 O\n0.441207 0.225170 0.085671 O\n0.925704 0.228892 0.399271 O\n0.425704 0.771108 0.600729 O\n0.423049 0.374746 0.779886 O\n0.250000 0.322959 0.244643 O\n0.750000 0.899573 0.129784 O\n0.250000 0.100427 0.870216 O\n0.923049 0.625254 0.220114 O\n0.941207 0.774830 0.914329 O\n0.074296 0.771108 0.600729 O\n0.250000 0.495397 0.030978 O\n",
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{
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{
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"structure_string": "La3 Zr1 Ga5 O14\n1.0\n4.177849 -7.236247 0.000000\n4.177849 7.236247 0.000000\n0.000000 0.000000 5.217339\nLa Zr Ga O\n3 1 5 14\ndirect\n0.573548 0.000000 0.000000 La\n0.000000 0.573548 0.000000 La\n0.426452 0.426452 0.000000 La\n0.000000 0.000000 0.000000 Zr\n0.333333 0.666667 0.530168 Ga\n0.666667 0.333333 0.469832 Ga\n0.245698 0.000000 0.500000 Ga\n0.000000 0.245698 0.500000 Ga\n0.754302 0.754302 0.500000 Ga\n0.149727 0.229655 0.245380 O\n0.770345 0.920072 0.245380 O\n0.229655 0.149727 0.754620 O\n0.079928 0.850273 0.245380 O\n0.920072 0.770345 0.754620 O\n0.850273 0.079928 0.754620 O\n0.333333 0.666667 0.180998 O\n0.666667 0.333333 0.819002 O\n0.458467 0.146459 0.300829 O\n0.853541 0.312008 0.300829 O\n0.146459 0.458467 0.699171 O\n0.687992 0.541533 0.300829 O\n0.312008 0.853541 0.699171 O\n0.541533 0.687992 0.699171 O\n",
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{
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{
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{
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},
{
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"structure_string": "Sr4 H40 S8 O32\n1.0\n4.092634 10.611452 0.000000\n-4.092634 10.611452 0.000000\n0.000000 3.200916 10.188266\nSr H S O\n4 40 8 32\ndirect\n0.103437 0.450797 0.185904 Sr\n0.549203 0.896563 0.314096 Sr\n0.896563 0.549203 0.814096 Sr\n0.450797 0.103437 0.685904 Sr\n0.740324 0.612724 0.142167 H\n0.387276 0.259676 0.357833 H\n0.259676 0.387276 0.857833 H\n0.612724 0.740324 0.642167 H\n0.786555 0.494363 0.278596 H\n0.505637 0.213445 0.221404 H\n0.213445 0.505637 0.721404 H\n0.494363 0.786555 0.778596 H\n0.455015 0.201214 0.009164 H\n0.798786 0.544985 0.490836 H\n0.544985 0.798786 0.990836 H\n0.201214 0.455015 0.509164 H\n0.409715 0.376827 0.957007 H\n0.623173 0.590285 0.542993 H\n0.590285 0.623173 0.042993 H\n0.376827 0.409715 0.457007 H\n0.889802 0.246657 0.420105 H\n0.753343 0.110198 0.079895 H\n0.110198 0.753343 0.579895 H\n0.246657 0.889802 0.920105 H\n0.906526 0.223894 0.274996 H\n0.776106 0.093474 0.225004 H\n0.093474 0.776106 0.725004 H\n0.223894 0.906526 0.774996 H\n0.104452 0.730610 0.051255 H\n0.269390 0.895548 0.448745 H\n0.895548 0.269390 0.948745 H\n0.730610 0.104452 0.551255 H\n0.116845 0.716210 0.198233 H\n0.283790 0.883155 0.301767 H\n0.883155 0.283790 0.801767 H\n0.716210 0.116845 0.698233 H\n0.593279 0.400940 0.370558 H\n0.599060 0.406721 0.129442 H\n0.406721 0.599060 0.629442 H\n0.400940 0.593279 0.870558 H\n0.424236 0.589570 0.404264 H\n0.410430 0.575764 0.095736 H\n0.575764 0.410430 0.595736 H\n0.589570 0.424236 0.904264 H\n0.964086 0.886865 0.385013 S\n0.113135 0.035914 0.114987 S\n0.035914 0.113135 0.614987 S\n0.886865 0.964086 0.885013 S\n0.860706 0.790400 0.446857 S\n0.209600 0.139294 0.053143 S\n0.139294 0.209600 0.553143 S\n0.790400 0.860706 0.946857 S\n0.951450 0.652993 0.559967 O\n0.347007 0.048550 0.940033 O\n0.048550 0.347007 0.440033 O\n0.652993 0.951450 0.059967 O\n0.667846 0.937315 0.484949 O\n0.062685 0.332154 0.015051 O\n0.332154 0.062685 0.515051 O\n0.937315 0.667846 0.984949 O\n0.883967 0.716034 0.336323 O\n0.283966 0.116033 0.163677 O\n0.116033 0.283966 0.663677 O\n0.716034 0.883967 0.836323 O\n0.781439 0.585839 0.227631 O\n0.414161 0.218561 0.272369 O\n0.218561 0.414161 0.772369 O\n0.585839 0.781439 0.727631 O\n0.357922 0.328559 0.984282 O\n0.671441 0.642078 0.515718 O\n0.642078 0.671441 0.015718 O\n0.328559 0.357922 0.484282 O\n0.824091 0.307528 0.342749 O\n0.692472 0.175909 0.157251 O\n0.175909 0.692472 0.657251 O\n0.307528 0.824091 0.842749 O\n0.170645 0.644265 0.126664 O\n0.355735 0.829355 0.373336 O\n0.829355 0.355735 0.873336 O\n0.644265 0.170645 0.626664 O\n0.466423 0.478341 0.397984 O\n0.521659 0.533577 0.102016 O\n0.533577 0.521659 0.602016 O\n0.478341 0.466423 0.897984 O\n",
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"formula_full": "Sr4 H40 S8 O32",
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},
{
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"structure_string": "Ba2 H6 Ru1\n1.0\n0.000000 4.039303 4.039303\n4.039303 0.000000 4.039303\n4.039303 4.039303 0.000000\nBa H Ru\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.785251 0.785251 0.214749 H\n0.214749 0.785251 0.214749 H\n0.785251 0.214749 0.214749 H\n0.214749 0.214749 0.785251 H\n0.785251 0.214749 0.785251 H\n0.214749 0.785251 0.785251 H\n0.000000 0.000000 0.000000 Ru\n",
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"formula_full": "Ba2 H6 Ru1",
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]
}