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{
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{
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{
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"structure_string": "H16 Pb2 C12 O8\n1.0\n4.290900 0.112344 0.392515\n1.449612 7.644517 1.746538\n0.030209 0.037943 10.788385\nH Pb C O\n16 2 12 8\ndirect\n0.321115 0.837530 0.317204 H\n0.871772 0.127373 0.699498 H\n0.869499 0.625721 0.700306 H\n0.779177 0.360064 0.660422 H\n0.781863 0.858467 0.660466 H\n0.296699 0.857749 0.550032 H\n0.369112 0.125333 0.593674 H\n0.367581 0.626044 0.593398 H\n0.295818 0.357048 0.550089 H\n0.822952 0.837199 0.424144 H\n0.894955 0.106207 0.467435 H\n0.893843 0.605495 0.467519 H\n0.411555 0.103162 0.357130 H\n0.408610 0.604786 0.357104 H\n0.318996 0.335845 0.318012 H\n0.821620 0.337922 0.423837 H\n0.093020 0.481858 0.009030 Pb\n0.097651 0.981384 0.008520 Pb\n0.674500 0.242469 0.681758 C\n0.467916 0.248828 0.802829 C\n0.466331 0.750473 0.802410 C\n0.487214 0.238108 0.568686 C\n0.487027 0.738315 0.568632 C\n0.674321 0.741868 0.681909 C\n0.724270 0.712639 0.215155 C\n0.703510 0.724926 0.448913 C\n0.516261 0.220749 0.335770 C\n0.516233 0.721357 0.335636 C\n0.722832 0.214315 0.214703 C\n0.703543 0.225137 0.448834 C\n0.550717 0.636152 0.905365 O\n0.979171 0.595435 0.217797 O\n0.980056 0.098964 0.216234 O\n0.639983 0.826896 0.112159 O\n0.635066 0.329035 0.112285 O\n0.211366 0.867623 0.799827 O\n0.210746 0.364209 0.801341 O\n0.555629 0.133986 0.905196 O\n",
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{
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"structure_string": "Co1 Cu2 Sn1 S4\n1.0\n4.951068 0.000061 -2.214575\n-0.990477 4.850984 -2.214575\n-0.035154 -0.043059 6.563313\nCo Cu Sn S\n1 2 1 4\ndirect\n0.000008 0.000008 0.000009 Co\n0.749996 0.250000 0.500003 Cu\n0.250000 0.749995 0.500005 Cu\n0.500002 0.500001 -0.000007 Sn\n0.640675 0.097065 0.737747 S\n0.902933 0.902931 0.262248 S\n0.097067 0.640674 0.737748 S\n0.359320 0.359320 0.262238 S\n",
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{
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"structure_string": "Tl2 Cd1 Ge1 Te4\n1.0\n6.763070 -0.005450 -1.839002\n-3.952799 5.487649 -1.838992\n0.002787 0.005450 7.008641\nTl Cd Ge Te\n2 1 1 4\ndirect\n-0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.000000 Ge\n0.949391 0.949391 0.350821 Te\n0.598570 0.598570 0.649180 Te\n0.401430 0.050609 0.000000 Te\n0.050610 0.401431 0.000000 Te\n",
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{
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"updated_at": "2022-09-04T14:37:00.458755Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n5.738766 0.000000 0.000000\n0.000000 4.984824 0.000000\n0.000000 0.000000 10.564694\nLi Mn P O\n4 4 4 16\ndirect\n-0.009767 0.590328 0.052643 Li\n0.490234 0.090328 0.447357 Li\n-0.009767 0.909671 0.552642 Li\n0.490234 0.409672 0.947357 Li\n0.990132 -0.029076 0.234579 Mn\n0.490132 0.470924 0.265421 Mn\n0.990132 0.529075 0.734579 Mn\n0.490132 0.029076 0.765421 Mn\n0.990134 0.112341 0.916883 P\n0.490134 0.612341 0.583116 P\n0.990134 0.387658 0.416883 P\n0.490134 0.887658 0.083117 P\n0.705528 0.749041 0.651702 O\n0.274739 0.749028 0.651708 O\n0.774739 0.249028 0.848292 O\n0.205528 0.249041 0.848297 O\n0.490129 0.307720 0.601397 O\n0.490126 0.701238 0.443761 O\n0.990127 0.298761 0.556238 O\n0.490129 0.192280 0.101397 O\n0.705528 0.750958 0.151703 O\n0.274739 0.750971 0.151708 O\n0.774739 0.250971 0.348292 O\n0.205528 0.250959 0.348297 O\n0.990129 0.807720 0.898603 O\n0.490126 0.798761 0.943761 O\n0.990129 0.692279 0.398603 O\n0.990127 0.201239 0.056238 O\n",
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{
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"structure_string": "Ti2 Co3 Te3 O16\n1.0\n6.125802 0.003733 0.012116\n-3.059668 5.299539 -0.000005\n0.005402 0.003046 9.050168\nTi Co Te O\n2 3 3 16\ndirect\n0.365315 0.682664 0.509898 Ti\n0.710941 0.355481 0.971924 Ti\n0.653735 0.826876 0.204927 Co\n0.840462 0.667160 0.704021 Co\n0.840462 0.173320 0.704018 Co\n0.155967 0.826142 0.214784 Te\n0.155967 0.329843 0.214780 Te\n0.341519 0.170769 0.713369 Te\n0.832944 0.664661 0.103317 O\n0.654403 0.327209 0.597620 O\n0.518980 0.049790 0.846250 O\n0.518978 0.469206 0.846251 O\n0.663436 0.831723 0.598911 O\n0.320358 0.160189 0.102766 O\n0.458511 0.515136 0.335979 O\n-0.007534 -0.003753 0.325026 O\n0.189332 0.348092 0.598803 O\n0.014672 0.007348 0.809183 O\n0.961413 0.480717 0.840786 O\n0.306899 0.653456 0.091930 O\n0.022443 0.511228 0.343090 O\n0.189330 0.841256 0.598803 O\n0.458513 0.943390 0.335981 O\n0.832949 0.168301 0.103314 O\n",
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"structure_string": "Al1 In1 Cu1 O4\n1.0\n3.290679 0.034401 8.024322\n1.609339 2.870502 8.024322\n0.058027 0.034401 8.672655\nAl In Cu O\n1 1 1 4\ndirect\n0.584790 0.584788 0.584787 Al\n0.799717 0.799714 0.799714 In\n0.012489 0.012489 0.012489 Cu\n0.511727 0.511726 0.511725 O\n0.091557 0.091556 0.091556 O\n0.659486 0.659484 0.659483 O\n0.919904 0.919901 0.919901 O\n",
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{
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"structure_string": "Fe2 Bi2 As2 O2\n1.0\n3.949631 -0.000000 0.000000\n-0.000000 3.949631 0.000000\n-0.000000 0.000000 8.634427\nFe Bi As O\n2 2 2 2\ndirect\n0.250001 0.750001 0.500000 Fe\n0.750001 0.250001 0.500000 Fe\n0.750001 0.750001 0.851977 Bi\n0.250001 0.250001 0.148022 Bi\n0.750001 0.750001 0.357540 As\n0.250001 0.250001 0.642460 As\n0.250001 0.750001 0.000000 O\n0.750001 0.250001 0.000000 O\n",
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"structure_string": "Cd4 H4 S2 O12\n1.0\n5.248047 3.871034 -2.627127\n-5.248047 3.871034 2.627127\n-0.043797 0.000000 6.529960\nCd H S O\n4 4 2 12\ndirect\n0.852173 0.342791 0.815193 Cd\n0.342790 0.852174 0.684807 Cd\n0.147826 0.657209 0.184807 Cd\n0.657209 0.147826 0.315193 Cd\n0.767456 0.941654 0.815754 H\n0.941653 0.767456 0.684245 H\n0.232543 0.058346 0.184245 H\n0.058345 0.232543 0.315755 H\n0.317417 0.317417 0.750000 S\n0.682582 0.682582 0.250000 S\n0.043211 0.686798 0.795945 O\n0.686798 0.043211 0.704055 O\n0.751586 0.830482 0.394024 O\n0.830482 0.751586 0.105976 O\n0.248413 0.169517 0.605976 O\n0.319321 0.538164 0.595871 O\n0.461835 0.680678 0.095871 O\n0.680678 0.461835 0.404128 O\n0.538164 0.319321 0.904128 O\n0.313201 0.956788 0.295945 O\n0.169517 0.248413 0.894024 O\n0.956788 0.313201 0.204055 O\n",
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"updated_at": "2022-09-04T14:37:00.755374Z",
"structure_string": "K4 V2 Cu2 Se8\n1.0\n5.483468 0.000000 1.315771\n2.741734 6.604754 0.657885\n0.023759 0.000000 11.985033\nK V Cu Se\n4 2 2 8\ndirect\n0.944385 0.750000 0.111230 K\n0.305615 0.750000 0.388769 K\n0.055615 0.250000 0.888769 K\n0.694385 0.250000 0.611230 K\n0.125000 0.750000 0.750000 V\n0.875000 0.250000 0.250000 V\n0.625000 0.750000 0.749999 Cu\n0.375000 0.250000 0.250000 Cu\n0.267015 0.045297 0.134617 Se\n0.946930 0.454703 0.365382 Se\n0.687689 0.045297 0.365382 Se\n0.598368 0.454703 0.134617 Se\n0.732985 0.954703 0.865382 Se\n0.053071 0.545296 0.634617 Se\n0.312312 0.954703 0.634617 Se\n0.401633 0.545296 0.865382 Se\n",
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{
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"structure_string": "Te4 Mo2 W2 Se4\n1.0\n3.441202 0.000043 -0.000040\n-1.720564 2.979411 0.000046\n-0.000431 0.000322 35.612423\nTe Mo W Se\n4 2 2 4\ndirect\n0.333328 0.666605 0.712767 Te\n0.666672 0.333393 0.038691 Te\n0.666653 0.333332 0.143106 Te\n0.333347 0.666666 0.608352 Te\n0.333338 0.666583 0.090853 Mo\n0.666662 0.333415 0.660605 Mo\n0.333303 0.666743 0.467164 W\n0.666697 0.333255 0.284294 W\n0.333329 0.666716 0.330417 Se\n0.666671 0.333282 0.421041 Se\n0.666696 0.333378 0.513316 Se\n0.333304 0.666621 0.238142 Se\n",
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}