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{
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{
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{
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"structure_string": "Ca16 Si12 H8 O44\n1.0\n4.598479 -5.233738 0.000000\n4.598479 5.233738 0.000000\n0.000000 0.000000 20.780538\nCa Si H O\n16 12 8 44\ndirect\n0.155633 0.965108 0.854191 Ca\n0.965108 0.155633 0.145809 Ca\n0.155633 0.965108 0.645809 Ca\n0.965108 0.155633 0.354191 Ca\n0.533523 0.345259 0.863132 Ca\n0.345259 0.533523 0.136868 Ca\n0.533523 0.345259 0.636868 Ca\n0.345259 0.533523 0.363132 Ca\n0.849598 0.620444 0.750000 Ca\n0.620444 0.849598 0.250000 Ca\n0.621784 0.621784 0.000000 Ca\n0.621784 0.621784 0.500000 Ca\n0.785395 0.115059 0.750000 Ca\n0.115059 0.785395 0.250000 Ca\n0.214818 0.214818 0.000000 Ca\n0.214818 0.214818 0.500000 Ca\n0.638812 0.876532 0.873248 Si\n0.876532 0.638812 0.126752 Si\n0.638812 0.876532 0.626752 Si\n0.876532 0.638812 0.373248 Si\n0.120062 0.692585 0.996461 Si\n0.692585 0.120062 0.003539 Si\n0.120062 0.692585 0.503539 Si\n0.692585 0.120062 0.496461 Si\n0.048961 0.449237 0.873885 Si\n0.449237 0.048961 0.126115 Si\n0.048961 0.449237 0.626115 Si\n0.449237 0.048961 0.373885 Si\n0.318029 0.645931 0.848478 H\n0.645931 0.318029 0.151522 H\n0.318029 0.645931 0.651522 H\n0.645931 0.318029 0.348478 H\n0.228240 0.193932 0.750000 H\n0.193932 0.228240 0.250000 H\n0.421403 0.503025 0.750000 H\n0.503025 0.421403 0.250000 H\n0.571798 0.287114 0.974652 O\n0.287114 0.571798 0.025348 O\n0.571798 0.287114 0.525348 O\n0.287114 0.571798 0.474652 O\n0.190596 0.899103 0.963750 O\n0.899103 0.190596 0.036250 O\n0.190596 0.899103 0.536250 O\n0.899103 0.190596 0.463750 O\n0.986119 0.551118 0.941981 O\n0.551118 0.986119 0.058019 O\n0.986119 0.551118 0.558019 O\n0.551118 0.986119 0.441981 O\n0.717315 0.953233 0.946770 O\n0.953233 0.717315 0.053230 O\n0.717315 0.953233 0.553230 O\n0.953233 0.717315 0.446770 O\n0.191440 0.287481 0.889654 O\n0.287481 0.191440 0.110346 O\n0.191440 0.287481 0.610346 O\n0.287481 0.191440 0.389654 O\n0.506009 0.023360 0.838559 O\n0.023360 0.506009 0.161441 O\n0.506009 0.023360 0.661441 O\n0.023360 0.506009 0.338559 O\n0.860988 0.376359 0.830209 O\n0.376359 0.860988 0.169791 O\n0.860988 0.376359 0.669791 O\n0.376359 0.860988 0.330209 O\n0.827430 0.865641 0.826355 O\n0.865641 0.827430 0.173645 O\n0.827430 0.865641 0.673645 O\n0.865641 0.827430 0.326355 O\n0.521314 0.662169 0.888149 O\n0.662169 0.521314 0.111851 O\n0.521314 0.662169 0.611851 O\n0.662169 0.521314 0.388149 O\n0.179266 0.627154 0.830537 O\n0.627154 0.179266 0.169463 O\n0.179266 0.627154 0.669463 O\n0.627154 0.179266 0.330537 O\n0.122181 0.087911 0.750000 O\n0.087911 0.122181 0.250000 O\n0.533451 0.431777 0.750000 O\n0.431777 0.533451 0.250000 O\n",
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{
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{
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{
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"structure_string": "Y1 Th9 Mg1 O20\n1.0\n6.565028 -0.003168 4.539592\n-0.895392 6.418283 18.955973\n-0.021837 -0.028106 10.623890\nY Th Mg O\n1 9 1 20\ndirect\n0.963650 0.981051 0.084955 Y\n0.004754 0.198522 0.998768 Th\n0.507202 0.004132 0.986820 Th\n0.000350 0.420149 0.956961 Th\n0.496875 0.198639 0.005558 Th\n0.004268 0.588011 0.016504 Th\n0.510812 0.410170 0.976818 Th\n0.000467 0.799077 0.991441 Th\n0.499371 0.597405 0.003625 Th\n0.512048 0.795999 0.998241 Th\n0.189761 0.081643 0.606799 Mg\n0.123957 0.154742 0.231939 O\n0.128807 0.345733 0.250526 O\n0.639767 0.152952 0.238793 O\n0.370330 0.055002 0.737312 O\n0.127653 0.545753 0.251817 O\n0.630715 0.353064 0.236685 O\n0.382074 0.248878 0.744173 O\n0.122375 0.767396 0.218881 O\n0.884954 0.059235 0.724234 O\n0.125436 0.943866 0.264720 O\n0.628780 0.544931 0.255798 O\n0.379626 0.465967 0.715161 O\n0.872677 0.246734 0.759367 O\n0.380627 0.649739 0.743885 O\n0.630734 0.757080 0.232143 O\n0.621790 0.946989 0.257578 O\n0.880547 0.461191 0.724963 O\n0.378884 0.839757 0.761471 O\n0.872698 0.644628 0.763239 O\n0.878010 0.841562 0.760823 O\n",
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