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{
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{
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{
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.875734 0.000000 0.000000\n0.000000 9.800210 0.000000\n0.000000 1.535185 10.240590\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.265925 0.871856 Li\n0.500000 0.744088 0.622835 Li\n0.500000 0.255912 0.377165 Li\n0.000000 0.270542 0.608366 Li\n0.000000 0.729458 0.391634 Li\n0.000000 0.265132 0.124995 Li\n0.500000 0.734075 0.128144 Li\n0.000000 0.734868 0.875005 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.000000 0.505809 0.732683 Co\n0.000000 0.494191 0.267317 Co\n0.500000 0.003266 0.246690 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.996734 0.753310 Co\n0.500000 0.115726 0.047263 O\n0.500000 0.603659 0.827526 O\n0.500000 0.113178 0.559820 O\n0.000000 0.099945 0.821820 O\n0.000000 0.621079 0.578845 O\n0.000000 0.115672 0.298060 O\n0.500000 0.621789 0.303809 O\n0.000000 0.608634 0.054484 O\n0.500000 0.378211 0.696191 O\n0.500000 0.886822 0.440180 O\n0.500000 0.396341 0.172474 O\n0.000000 0.378921 0.421155 O\n0.000000 0.900055 0.178180 O\n0.000000 0.391366 0.945516 O\n0.500000 0.884274 0.952737 O\n0.000000 0.884328 0.701940 O\n",
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{
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"structure_string": "Sr12 Ca2 Y4 Ga6 Cu12 O42\n1.0\n-2.760703 8.084469 11.621947\n2.760703 -8.084469 11.621947\n2.760703 8.084469 -11.621947\nSr Ca Y Ga Cu O\n12 2 4 6 12 42\ndirect\n0.817105 0.136409 0.650945 Sr\n0.484191 0.136428 0.318047 Sr\n0.149673 0.135619 0.984862 Sr\n0.849243 0.864381 0.014055 Sr\n0.514536 0.863591 0.680697 Sr\n0.181620 0.863572 0.347763 Sr\n0.014536 0.333839 0.650945 Sr\n0.681620 0.333856 0.318047 Sr\n0.349243 0.335188 0.984862 Sr\n0.649673 0.664812 0.014055 Sr\n0.317105 0.666161 0.680697 Sr\n0.984191 0.666144 0.347763 Sr\n0.000020 0.000000 0.000020 Ca\n0.500020 0.500000 0.000020 Ca\n0.664967 0.000000 0.664967 Y\n0.335047 0.000000 0.335047 Y\n0.164967 0.500000 0.664967 Y\n0.835047 0.500000 0.335047 Y\n0.068720 0.318194 0.886914 Ga\n0.735453 0.318440 0.553894 Ga\n0.401880 0.318022 0.219902 Ga\n0.235453 0.681560 0.417013 Ga\n0.901880 0.681978 0.083857 Ga\n0.568720 0.681806 0.750526 Ga\n0.573938 0.074173 0.500385 Cu\n0.239946 0.074084 0.166375 Cu\n0.907825 0.074129 0.834299 Cu\n0.092291 0.925916 0.165862 Cu\n0.760170 0.925871 0.833696 Cu\n0.426212 0.925827 0.499766 Cu\n0.926212 0.426446 0.500385 Cu\n0.592291 0.426429 0.166375 Cu\n0.260170 0.426474 0.834299 Cu\n0.739946 0.573571 0.165862 Cu\n0.407825 0.573526 0.833696 Cu\n0.073938 0.573554 0.499766 Cu\n0.652083 0.310532 0.828851 O\n0.315045 0.315301 0.500236 O\n0.981682 0.323812 0.171705 O\n0.184935 0.684699 0.999744 O\n0.847894 0.676188 0.657870 O\n0.518319 0.689468 0.341552 O\n0.018319 0.676767 0.828851 O\n0.684935 0.685191 0.500236 O\n0.347894 0.690024 0.171705 O\n0.481682 0.309976 0.657870 O\n0.152083 0.323233 0.341552 O\n0.815045 0.314809 0.999744 O\n0.477799 0.819516 0.171590 O\n0.147599 0.807537 0.829505 O\n0.811072 0.811891 0.500553 O\n0.021968 0.192463 0.340062 O\n0.688663 0.188109 0.999181 O\n0.352075 0.180484 0.658284 O\n0.188663 0.189481 0.500553 O\n0.852075 0.193791 0.171590 O\n0.521968 0.181905 0.829505 O\n0.647599 0.818095 0.340062 O\n0.311072 0.810519 0.999181 O\n0.977799 0.806209 0.658284 O\n0.848283 0.720025 0.216089 O\n0.514771 0.720030 0.882607 O\n0.181673 0.720766 0.549925 O\n0.829159 0.279234 0.460907 O\n0.496065 0.279975 0.128259 O\n0.162577 0.279970 0.794742 O\n0.996065 0.867806 0.216089 O\n0.662577 0.867835 0.882607 O\n0.329159 0.868252 0.549925 O\n0.681673 0.131748 0.460907 O\n0.348283 0.132194 0.128259 O\n0.014771 0.132165 0.794742 O\n0.784071 0.633636 0.917708 O\n0.450864 0.632796 0.583659 O\n0.117564 0.632849 0.250413 O\n0.950864 0.367204 0.818068 O\n0.617564 0.367151 0.484715 O\n0.284071 0.366364 0.150435 O\n",
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"formula_full": "Sr12 Ca2 Y4 Ga6 Cu12 O42",
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{
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"structure_string": "K1 I1 O3\n1.0\n3.241109 -3.168042 0.000000\n3.241109 3.168042 0.000000\n0.144487 0.000000 4.529944\nK I O\n1 1 3\ndirect\n0.007002 0.007002 0.007002 K\n0.505063 0.505063 0.505063 I\n0.545792 0.545792 0.101250 O\n0.545792 0.101250 0.545792 O\n0.101250 0.545792 0.545792 O\n",
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{
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"structure_string": "Li4 V4 P8 H4 O28\n1.0\n6.541981 -0.061177 0.025268\n-0.724779 3.730730 5.411575\n0.392679 -11.242688 5.579968\nLi V P H O\n4 4 8 4 28\ndirect\n0.119744 0.686997 0.425302 Li\n0.119732 0.186978 0.925312 Li\n0.880309 0.812990 0.074725 Li\n0.880143 0.312964 0.574676 Li\n0.350779 0.739168 0.641203 V\n0.649319 0.260881 0.358787 V\n0.350579 0.239155 0.141201 V\n0.649641 0.760879 0.858751 V\n0.154653 0.156460 0.383045 P\n0.154879 0.656423 0.883058 P\n0.845213 0.343543 0.116952 P\n0.845304 0.843558 0.616935 P\n0.390362 0.728617 0.089981 P\n0.390285 0.228678 0.589943 P\n0.609631 0.771390 0.410034 P\n0.609654 0.271319 0.910043 P\n0.172283 0.905329 0.248883 H\n0.172345 0.405349 0.748870 H\n0.827630 0.594671 0.251117 H\n0.827668 0.094640 0.751132 H\n0.094509 0.929996 0.324633 O\n0.094641 0.429983 0.824638 O\n0.905397 0.569996 0.175367 O\n0.905390 0.070023 0.675372 O\n0.029913 0.222759 0.088914 O\n0.030036 0.722858 0.588883 O\n0.969933 0.277177 0.411097 O\n0.970201 0.777237 0.911104 O\n0.237613 0.110413 0.493085 O\n0.237806 0.610298 0.993083 O\n0.762265 0.389635 0.006926 O\n0.762247 0.889622 0.506931 O\n0.271661 0.909158 0.142492 O\n0.271718 0.409269 0.642483 O\n0.728233 0.590829 0.357505 O\n0.728319 0.090751 0.857541 O\n0.324388 0.266183 0.318723 O\n0.324656 0.766064 0.818735 O\n0.675429 0.233889 0.181273 O\n0.675575 0.733833 0.681263 O\n0.401923 0.566418 0.161249 O\n0.402023 0.066460 0.661183 O\n0.597953 0.933676 0.338792 O\n0.598032 0.433516 0.838779 O\n0.408943 0.698434 0.466654 O\n0.408929 0.198363 0.966667 O\n0.591116 0.801547 0.033370 O\n0.590995 0.301614 0.533308 O\n",
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{
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{
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