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"structure_string": "Sr2 Ca1 Tl1 Cu2 O7\n1.0\n3.773558 0.000000 0.000000\n0.000000 3.773558 0.000000\n0.000000 -0.000000 12.204720\nSr Ca Tl Cu O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.210049 Sr\n0.500000 0.500000 0.789951 Sr\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.359453 Cu\n0.000000 0.000000 0.640547 Cu\n0.500000 0.000000 0.627646 O\n0.000000 0.500000 0.627646 O\n0.500000 0.000000 0.372354 O\n0.000000 0.500000 0.372354 O\n0.000000 0.000000 0.826991 O\n0.000000 0.000000 0.173009 O\n0.500000 0.500000 0.000000 O\n",
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"structure_string": "Li4 Ti3 Cu3 Te2 O16\n1.0\n5.953435 -0.000431 0.000121\n-2.976204 5.158610 0.017688\n-0.000284 -0.265022 10.098422\nLi Ti Cu Te O\n4 3 3 2 16\ndirect\n0.343824 0.687684 0.087496 Li\n0.008017 0.016078 0.019666 Li\n0.987157 0.974322 0.511801 Li\n0.664228 0.328456 0.598487 Li\n0.167221 0.818071 0.782270 Ti\n0.650842 0.818091 0.782265 Ti\n0.826146 0.652303 0.276036 Ti\n0.337779 0.168468 0.284402 Cu\n0.830661 0.168466 0.284404 Cu\n0.170856 0.341710 0.797817 Cu\n0.321105 0.642208 0.495593 Te\n0.668353 0.336748 0.014004 Te\n0.834508 0.669030 0.905752 O\n0.338132 0.166557 0.917755 O\n0.667574 0.335171 0.380771 O\n0.973617 0.519014 0.135195 O\n0.545382 0.519038 0.135188 O\n0.148597 0.297180 0.414047 O\n0.523034 0.538453 0.669304 O\n0.490850 0.981747 0.686684 O\n0.649255 0.786505 0.390491 O\n-0.000082 -0.000132 0.201042 O\n0.001829 0.003672 0.705509 O\n0.341641 0.683290 0.893188 O\n0.528192 0.056449 0.145410 O\n0.137221 0.786492 0.390494 O\n0.015419 0.538395 0.669328 O\n0.828359 0.166541 0.917762 O\n",
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"formula_reduced": "Li4Ti3Cu3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
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},
{
"id": "jvasp-35119",
"created_at": "2022-09-04T14:37:39.929923Z",
"updated_at": "2022-09-04T14:37:39.929950Z",
"structure_string": "Ba2 Al2 Si8 N10 O6\n1.0\n-0.000000 0.000000 -5.674543\n0.000000 -6.898558 2.837271\n-9.459789 0.000000 0.000000\nBa Al Si N O\n2 2 8 10 6\ndirect\n0.974355 0.948712 0.486836 Ba\n0.025645 0.051288 0.986837 Ba\n0.471161 0.942323 0.256829 Al\n0.528839 0.057678 0.756829 Al\n0.710904 0.421809 0.545902 Si\n0.289096 0.578192 0.045902 Si\n0.576469 0.655207 0.768228 Si\n0.078738 0.655207 0.768228 Si\n0.921261 0.344793 0.268228 Si\n0.702303 0.404606 0.988663 Si\n0.297697 0.595394 0.488663 Si\n0.423530 0.344793 0.268228 Si\n0.975297 0.447359 0.099674 N\n0.527938 0.552641 0.599674 N\n0.024703 0.552641 0.599674 N\n0.472062 0.447359 0.099674 N\n0.290434 0.580870 0.860432 N\n0.592267 0.184535 0.920647 N\n0.800168 0.600336 0.864692 N\n0.199832 0.399665 0.364692 N\n0.407733 0.815466 0.420647 N\n0.709566 0.419131 0.360432 N\n0.400648 0.801297 0.101010 O\n0.800377 0.106024 0.247692 O\n0.305646 0.106024 0.247692 O\n0.199622 0.893976 0.747692 O\n0.694354 0.893976 0.747692 O\n0.599352 0.198704 0.601010 O\n",
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"formula_reduced": "BaAlSi4N5O3",
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{
"id": "jvasp-32154",
"created_at": "2022-09-04T14:37:38.295733Z",
"updated_at": "2022-09-04T14:37:38.295764Z",
"structure_string": "Te2 Mo3 W1 Se4 S2\n1.0\n3.347356 -0.000035 0.000047\n-1.673708 2.898874 0.000105\n0.000480 0.001716 35.992021\nTe Mo W Se S\n2 3 1 4 2\ndirect\n0.666653 0.333360 0.415036 Te\n0.666568 0.333222 0.520666 Te\n0.333246 0.666536 0.098586 Mo\n0.333293 0.666622 0.467870 Mo\n0.666824 0.333527 0.274520 Mo\n0.666648 0.333318 0.661974 W\n0.333460 0.666802 0.320822 Se\n0.333286 0.666599 0.708416 Se\n0.333528 0.666918 0.228199 Se\n0.333351 0.666697 0.615455 Se\n0.666606 0.333257 0.056429 S\n0.666547 0.333150 0.140775 S\n",
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"formula_reduced": "Te2Mo3W(Se2S)2",
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}