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{
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"structure_string": "Tb1 H3 C3 O6\n1.0\n5.222342 3.015120 1.320518\n-5.222342 3.015120 1.320518\n0.000000 -6.030241 1.320518\nTb H C O\n1 3 3 6\ndirect\n0.000140 0.000140 0.000140 Tb\n0.842969 0.358782 0.358782 H\n0.358782 0.358782 0.842970 H\n0.358782 0.842969 0.358782 H\n0.145311 0.606569 0.606569 C\n0.606569 0.606569 0.145311 C\n0.606569 0.145311 0.606569 C\n0.279673 0.885459 0.885459 O\n0.885459 0.885459 0.279673 O\n0.885459 0.279673 0.885459 O\n0.337550 0.589875 0.589875 O\n0.589875 0.589875 0.337550 O\n0.589875 0.337550 0.589875 O\n",
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"structure_string": "Ta4 Ga1 Se8\n1.0\n6.418852 -0.000000 3.705926\n2.139618 6.051752 3.705926\n0.000000 0.000000 7.411853\nTa Ga Se\n4 1 8\ndirect\n0.602282 0.602281 0.602282 Ta\n0.602282 0.193156 0.602282 Ta\n0.193156 0.602281 0.602282 Ta\n0.602282 0.602281 0.193157 Ta\n0.000000 0.000000 0.000000 Ga\n0.864504 0.406488 0.864505 Se\n0.364037 0.364037 0.364037 Se\n0.364037 0.364037 0.907891 Se\n0.907891 0.364037 0.364037 Se\n0.864504 0.864504 0.406489 Se\n0.864504 0.864504 0.864505 Se\n0.406488 0.864504 0.864505 Se\n0.364037 0.907890 0.364037 Se\n",
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"updated_at": "2022-09-04T14:38:06.839732Z",
"structure_string": "Sc5 Cl8\n1.0\n3.499806 -0.000028 0.664343\n1.655855 9.137158 0.827171\n0.002157 -0.620689 9.538298\nSc Cl\n5 8\ndirect\n0.000000 0.000000 0.000000 Sc\n0.515773 0.318926 0.649526 Sc\n0.484228 0.681074 0.350474 Sc\n0.123358 0.385450 0.367811 Sc\n0.876643 0.614550 0.632189 Sc\n0.698323 0.182156 0.421188 Cl\n0.301677 0.817844 0.578812 Cl\n0.364910 0.162568 0.107616 Cl\n0.635091 0.837432 0.892384 Cl\n0.673217 0.472845 0.180722 Cl\n0.326784 0.527155 0.819278 Cl\n0.966828 0.841516 0.224838 Cl\n0.033173 0.158484 0.775162 Cl\n",
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{
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"updated_at": "2022-09-04T14:38:12.373720Z",
"structure_string": "Sr2 Y1 Tl1 Cr2 O7\n1.0\n3.834749 0.000000 -0.000000\n0.000000 3.834749 -0.000000\n0.000000 0.000000 12.628830\nSr Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.194380 Sr\n0.500000 0.500000 0.805620 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.357324 Cr\n0.000000 0.000000 0.642676 Cr\n0.000000 0.500000 0.386705 O\n0.500000 0.000000 0.386705 O\n0.000000 0.500000 0.613295 O\n0.500000 0.000000 0.613295 O\n0.000000 0.000000 0.208089 O\n0.000000 0.000000 0.791911 O\n0.500000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:06.358217Z",
"updated_at": "2022-09-04T14:38:06.358245Z",
"structure_string": "Mn4 Cr1 O8\n1.0\n-0.039612 3.013895 -4.931153\n1.622710 -2.540068 -4.931153\n-5.077339 1.506085 -2.506374\nMn Cr O\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.499999 0.500000 -0.000000 Cr\n0.468291 0.267480 0.799189 O\n0.977294 0.278239 0.776012 O\n0.502225 0.753307 0.776012 O\n0.973097 0.752670 0.779573 O\n0.026902 0.247329 0.220426 O\n0.497774 0.246692 0.223987 O\n0.022705 0.721761 0.223988 O\n0.531708 0.732519 0.200810 O\n",
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{
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"created_at": "2022-09-04T14:38:29.848178Z",
"updated_at": "2022-09-04T14:38:29.848201Z",
"structure_string": "Ba2 Y1 Tl1 V2 O7\n1.0\n3.923462 -0.013822 -0.001472\n0.013844 3.926082 -0.003315\n0.004017 0.011612 12.843108\nBa Y Tl V O\n2 1 1 2 7\ndirect\n0.499971 0.486606 0.191957 Ba\n0.499979 0.486531 0.808067 Ba\n0.500095 0.477507 0.500000 Y\n-0.000179 0.047050 0.000012 Tl\n0.000066 -0.022026 0.367203 V\n0.000078 -0.022065 0.632795 V\n-0.000008 -0.023794 0.221257 O\n0.500068 -0.024196 0.388223 O\n0.000080 0.477075 0.388181 O\n0.000107 0.477020 0.611805 O\n0.499670 0.688393 0.000004 O\n0.500066 -0.024231 0.611767 O\n0.000006 -0.023871 0.778736 O\n",
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"created_at": "2022-09-04T14:38:13.433712Z",
"updated_at": "2022-09-04T14:38:13.433729Z",
"structure_string": "Ce1 H3 C3 O6\n1.0\n5.354787 3.091588 1.362624\n-5.354787 3.091588 1.362624\n0.000000 -6.183175 1.362624\nCe H C O\n1 3 3 6\ndirect\n0.001132 0.001132 0.001132 Ce\n0.855499 0.370421 0.370421 H\n0.370421 0.370421 0.855500 H\n0.370421 0.855499 0.370421 H\n0.149785 0.609702 0.609702 C\n0.609702 0.609702 0.149785 C\n0.609702 0.149785 0.609702 C\n0.282600 0.881880 0.881880 O\n0.881880 0.881880 0.282600 O\n0.881880 0.282600 0.881880 O\n0.334884 0.590537 0.590537 O\n0.590537 0.590537 0.334884 O\n0.590537 0.334884 0.590537 O\n",
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"structure_string": "Ba2 Y1 Tl1 Ni2 O7\n1.0\n3.797898 0.000000 0.000000\n0.000000 3.797898 0.000000\n0.000000 -0.000000 12.984039\nBa Y Tl Ni O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.793029 Ba\n0.500000 0.500000 0.206971 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.626060 Ni\n0.000000 0.000000 0.373940 Ni\n0.000000 0.000000 0.835553 O\n0.500000 0.000000 0.610860 O\n0.000000 0.500000 0.610860 O\n0.000000 0.500000 0.389140 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.389140 O\n0.000000 0.000000 0.164447 O\n",
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"structure_string": "Mn4 Fe1 O8\n1.0\n-0.062307 2.978851 -4.898384\n1.584495 -2.523254 -4.898384\n-5.067600 1.480748 -2.517642\nMn Fe O\n4 1 8\ndirect\n0.000000 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.000000 Mn\n0.000000 0.499999 0.000000 Mn\n0.500000 0.499999 0.000001 Fe\n0.469060 0.268263 0.799205 O\n0.977177 0.277922 0.777255 O\n0.500669 0.754432 0.777255 O\n0.975930 0.753940 0.778011 O\n0.024069 0.246058 0.221989 O\n0.499331 0.245566 0.222746 O\n0.022822 0.722076 0.222746 O\n0.530940 0.731735 0.200796 O\n",
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"structure_string": "Mg1 Cr4 S8\n1.0\n5.830049 -0.193932 4.110788\n2.026857 5.469820 4.110788\n-0.288804 -0.193932 7.127739\nMg Cr S\n1 4 8\ndirect\n0.500001 0.500001 0.499999 Mg\n0.500002 0.999999 0.500001 Cr\n1.000000 0.500001 0.500001 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.758334 0.257118 0.758333 S\n0.241667 0.241667 0.742883 S\n0.241667 0.742884 0.241666 S\n0.742882 0.241667 0.241667 S\n0.258937 0.258938 0.258937 S\n0.741064 0.741064 0.741063 S\n0.257119 0.758334 0.758333 S\n0.758335 0.758334 0.257117 S\n",
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}