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{
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{
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{
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"structure_string": "Tl4 C2 O6\n1.0\n2.752046 6.512966 0.000000\n-2.752046 6.512966 0.000000\n0.000000 4.114815 6.542327\nTl C O\n4 2 6\ndirect\n0.094709 0.094709 0.692743 Tl\n0.905291 0.905291 0.307257 Tl\n0.638752 0.638752 0.228128 Tl\n0.361248 0.361248 0.771872 Tl\n0.664962 0.664962 0.805480 C\n0.335038 0.335038 0.194520 C\n0.666879 0.666879 0.636562 O\n0.333121 0.333121 0.363438 O\n0.868583 0.458131 0.893129 O\n0.541869 0.131417 0.106871 O\n0.131417 0.541869 0.106871 O\n0.458131 0.868583 0.893129 O\n",
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"formula_full": "Tl4 C2 O6",
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{
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"created_at": "2022-09-04T14:41:11.483524Z",
"structure_string": "Nd4 Sn4 O14\n1.0\n0.000000 5.357755 5.357755\n5.357755 0.000000 5.357755\n5.357755 5.357755 0.000000\nNd Sn O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Nd\n0.625000 0.125000 0.125000 Nd\n0.125000 0.125000 0.625000 Nd\n0.125000 0.625000 0.125000 Nd\n0.625000 0.625000 0.625000 Sn\n0.125000 0.625000 0.625000 Sn\n0.625000 0.625000 0.125000 Sn\n0.625000 0.125000 0.625000 Sn\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.290807 0.290807 0.709193 O\n0.540807 0.540807 0.959193 O\n0.709193 0.290807 0.709193 O\n0.709193 0.290807 0.290807 O\n0.290807 0.709193 0.709193 O\n0.290807 0.709193 0.290807 O\n0.709193 0.709193 0.290807 O\n0.959193 0.540807 0.540807 O\n0.540807 0.959193 0.959193 O\n0.959193 0.959193 0.540807 O\n0.959193 0.540807 0.959193 O\n0.540807 0.959193 0.540807 O\n",
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{
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"created_at": "2022-09-04T14:40:43.900668Z",
"structure_string": "K1 Sr1 Nd1 W1 O6\n1.0\n0.000000 -4.280374 -4.280374\n4.280374 0.000000 -4.280374\n4.280374 -4.280374 -0.000000\nK Sr Nd W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728253 0.271747 0.271747 O\n0.271747 0.728253 0.728253 O\n0.728253 0.271747 0.728253 O\n0.271747 0.728253 0.271747 O\n0.728253 0.728253 0.271747 O\n0.271747 0.271747 0.728253 O\n",
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{
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{
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"structure_string": "Mn4 Se8 O20\n1.0\n5.785775 0.083069 -1.623522\n3.279160 6.204419 3.189124\n2.597077 -5.972802 8.949648\nMn Se O\n4 8 20\ndirect\n0.250000 0.000000 0.082470 Mn\n0.250000 0.500000 0.417530 Mn\n0.750000 0.500000 0.582470 Mn\n0.750000 0.000000 0.917530 Mn\n0.475094 0.657424 0.860723 Se\n0.975094 0.157424 0.360723 Se\n0.024906 0.342576 0.860723 Se\n0.524906 0.842576 0.360723 Se\n0.524906 0.342576 0.139277 Se\n0.024906 0.842576 0.639277 Se\n0.975094 0.657424 0.139277 Se\n0.475094 0.157424 0.639277 Se\n0.750000 0.500000 0.924603 O\n0.250000 0.000000 0.424603 O\n0.250000 0.500000 0.075397 O\n0.750000 0.000000 0.575397 O\n0.538657 0.688677 0.715518 O\n0.038657 0.188677 0.215518 O\n0.961343 0.311323 0.715518 O\n0.461343 0.811323 0.215518 O\n0.461343 0.311323 0.284482 O\n0.961343 0.811323 0.784482 O\n0.038657 0.688677 0.284482 O\n0.538657 0.188677 0.784482 O\n0.990519 0.849592 0.065493 O\n0.490519 0.349592 0.565493 O\n0.509481 0.150408 0.065493 O\n0.009481 0.650408 0.565493 O\n0.009481 0.150408 0.934507 O\n0.509481 0.650408 0.434507 O\n0.490519 0.849592 0.934507 O\n0.990519 0.349592 0.434507 O\n",
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"formula_full": "Mn4 Se8 O20",
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{
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"created_at": "2022-09-04T14:39:06.034097Z",
"structure_string": "Ba10 Mg1 As6 Cl2 O24\n1.0\n11.008296 0.321424 -0.173603\n-5.228287 9.541956 0.152953\n-0.122527 0.056763 7.794533\nBa Mg As Cl O\n10 1 6 2 24\ndirect\n0.662622 0.308288 0.521032 Ba\n0.331620 0.660332 0.501856 Ba\n0.035910 0.290441 0.243738 Ba\n0.320508 0.653975 0.001516 Ba\n0.761343 0.765202 0.239052 Ba\n0.263278 0.015168 0.236415 Ba\n0.782806 0.011729 0.735595 Ba\n0.991073 0.739516 0.739257 Ba\n0.686827 0.390617 0.005940 Ba\n0.267057 0.275538 0.751853 Ba\n0.575310 0.079427 0.920901 Mg\n0.969146 0.592086 0.250742 As\n0.617205 0.642710 0.732187 As\n0.337173 0.949197 0.752812 As\n0.418649 0.382081 0.258304 As\n0.041729 0.428212 0.736832 As\n0.615158 0.007591 0.250488 As\n0.024096 0.026095 0.995756 Cl\n0.012957 0.018969 0.481954 Cl\n0.691389 0.748206 0.904985 O\n0.326150 0.474222 0.259671 O\n0.381420 0.266967 0.430317 O\n0.442131 0.552530 0.756416 O\n0.121184 0.381310 0.568136 O\n0.687442 0.529180 0.719305 O\n0.720869 0.220324 0.800379 O\n0.148409 0.613673 0.738627 O\n0.592340 0.489026 0.262415 O\n0.715230 0.017831 0.079856 O\n0.117809 0.384218 0.922695 O\n0.873437 0.413023 0.267867 O\n0.465519 0.897277 0.794328 O\n0.908973 0.638610 0.064087 O\n0.928229 0.669196 0.412449 O\n0.427119 0.125645 0.779450 O\n0.378684 0.282338 0.076555 O\n0.708845 0.083301 0.430286 O\n0.139421 0.634337 0.245349 O\n0.227116 0.881569 0.921089 O\n0.491451 0.840425 0.268969 O\n0.260670 0.898063 0.555968 O\n0.651694 0.751071 0.555414 O\n0.536253 0.107985 0.170824 O\n",
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