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{
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"structure_string": "Ba1 Pb2 C2 O6 F2\n1.0\n4.924220 -0.022563 6.705105\n2.181344 4.414768 6.705105\n-0.036502 -0.022563 8.318956\nBa Pb C O F\n1 2 2 6 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.214478 0.214479 0.214478 Pb\n0.785521 0.785523 0.785523 Pb\n0.431161 0.431162 0.431162 C\n0.568838 0.568840 0.568839 C\n0.719179 0.288600 0.288600 O\n0.280820 0.711402 0.711401 O\n0.288599 0.288600 0.719179 O\n0.711400 0.711402 0.280822 O\n0.711400 0.280822 0.711401 O\n0.288599 0.719180 0.288600 O\n0.311364 0.311365 0.311365 F\n0.688635 0.688637 0.688636 F\n",
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"structure_string": "Sr2 Cd2 Cu1 S2 O2\n1.0\n3.940164 -0.000000 -0.869246\n-0.191766 3.935495 -0.869246\n0.302848 0.317965 10.737475\nSr Cd Cu S O\n2 2 1 2 2\ndirect\n0.579079 0.579080 0.158158 Sr\n0.420920 0.420922 0.841841 Sr\n0.749999 0.250001 0.499999 Cd\n0.249999 0.750002 0.500000 Cd\n0.000000 0.000000 0.000000 Cu\n0.859151 0.859154 0.718302 S\n0.140848 0.140848 0.281697 S\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500001 -0.000000 O\n",
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{
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"updated_at": "2022-09-04T14:37:53.091540Z",
"structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n3.414943 -0.000000 0.000010\n-1.707472 2.957360 0.000133\n0.000109 0.001880 40.068021\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333367 0.666735 0.706208 Te\n0.666750 0.333500 0.420993 Te\n0.666699 0.333412 0.514471 Te\n0.333465 0.666932 0.612594 Te\n0.333405 0.666817 0.467815 Mo\n0.666654 0.333328 0.281744 Mo\n0.333196 0.666373 0.093956 W\n0.666721 0.333453 0.659541 W\n0.666539 0.333056 0.052956 Se\n0.666506 0.333006 0.135071 Se\n0.333325 0.666653 0.319140 S\n0.333372 0.666735 0.244258 S\n",
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{
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"created_at": "2022-09-04T14:37:53.330498Z",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.348297 0.000000 -0.000000\n-1.674149 2.899742 -0.001484\n-0.000000 -0.017950 34.796881\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.333772 0.667547 0.717575 Te\n0.333223 0.666447 0.607786 Te\n0.333252 0.666506 0.097693 Mo\n0.333412 0.666825 0.462465 Mo\n0.666568 0.333136 0.280052 W\n0.666750 0.333497 0.662733 W\n0.666271 0.332540 0.049858 Se\n0.666388 0.332772 0.414576 Se\n0.666763 0.333524 0.145579 Se\n0.666996 0.333991 0.510346 Se\n0.333539 0.667077 0.323850 S\n0.333068 0.666137 0.236236 S\n",
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"structure_string": "Ba1 La1 Ti1 Cu1 O6\n1.0\n4.850076 -0.000000 2.800193\n1.616692 4.572695 2.800193\n-0.000000 -0.000000 5.600385\nBa La Ti Cu O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500001 0.500000 La\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750001 0.750000 Cu\n0.003178 0.496822 0.496822 O\n0.496822 0.003179 0.003178 O\n0.003178 0.496822 0.003178 O\n0.496822 0.003179 0.496821 O\n0.496822 0.496822 0.003178 O\n0.003179 0.003179 0.496822 O\n",
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{
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"structure_string": "Ba1 La1 Mn1 Ru1 O6\n1.0\n4.851417 -0.000000 2.800967\n1.617139 4.573960 2.800967\n-0.000000 -0.000000 5.601934\nBa La Mn Ru O\n1 1 1 1 6\ndirect\n0.750001 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ru\n0.754267 0.245734 0.245734 O\n0.245734 0.754266 0.754266 O\n0.754267 0.245734 0.754266 O\n0.245734 0.754266 0.245734 O\n0.245734 0.245734 0.754266 O\n0.754267 0.754266 0.245734 O\n",
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"structure_string": "Te2 Mo2 W2 Se4 S2\n1.0\n3.345227 -0.000011 -0.000017\n-1.672623 2.897048 -0.000103\n-0.000185 -0.001361 36.083224\nTe Mo W Se S\n2 2 2 4 2\ndirect\n0.666651 0.333306 0.418676 Te\n0.666719 0.333394 0.524107 Te\n0.333300 0.666621 0.095295 Mo\n0.333341 0.666682 0.471366 Mo\n0.666650 0.333309 0.277791 W\n0.666702 0.333383 0.658438 W\n0.333358 0.666699 0.324254 Se\n0.666591 0.333233 0.049137 Se\n0.666664 0.333331 0.141507 Se\n0.333288 0.666605 0.231347 Se\n0.333395 0.666750 0.700676 S\n0.333348 0.666696 0.616153 S\n",
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"structure_string": "Na1 Cr1 H8 N2 F6\n1.0\n0.000000 -4.259528 4.259528\n-4.259528 4.259528 -0.000000\n-0.000000 -4.259528 -4.259528\nNa Cr H N F\n1 1 8 2 6\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.180090 0.639820 0.819911 H\n0.459730 0.639820 0.819911 H\n0.180090 0.360181 0.540271 H\n0.180090 0.360181 0.819911 H\n0.819911 0.639820 0.180090 H\n0.819911 0.360181 0.180090 H\n0.540271 0.360181 0.180090 H\n0.819911 0.639820 0.459730 H\n0.750000 0.500000 0.250000 N\n0.250000 0.500000 0.750000 N\n0.773854 0.000000 0.773854 F\n0.226146 0.000000 0.226146 F\n0.226146 0.452292 0.226146 F\n0.773854 0.000000 0.226148 F\n0.226148 0.000000 0.773854 F\n0.773854 0.547706 0.773854 F\n",
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