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"structure_string": "Ba2 Ti1 Re1\n1.0\n-0.000000 3.802139 3.802139\n3.802139 -0.000000 3.802139\n3.802139 3.802139 0.000000\nBa Ti Re\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
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"structure_string": "Ba4 Ti2 O2 F12\n1.0\n6.441905 -0.002509 3.366079\n3.080283 6.565208 1.496959\n-0.009282 -0.013356 7.404776\nBa Ti O F\n4 2 2 12\ndirect\n0.844510 0.823435 0.581446 Ba\n0.498910 0.827115 0.172950 Ba\n0.998911 0.172949 0.827116 Ba\n0.344511 0.581445 0.823436 Ba\n0.911963 0.319440 0.331513 Ti\n0.411963 0.331512 0.319441 Ti\n0.637277 0.393608 0.266159 O\n0.137277 0.266158 0.393609 O\n0.733692 0.601926 0.429411 F\n0.733389 0.237725 0.603771 F\n0.553759 0.055686 0.394288 F\n0.215548 0.847821 0.555742 F\n0.715548 0.555740 0.847822 F\n0.233693 0.429410 0.601927 F\n0.233389 0.603770 0.237726 F\n0.053759 0.394288 0.055687 F\n0.393776 0.930919 0.843709 F\n0.893775 0.843708 0.930921 F\n0.020273 0.048433 0.236705 F\n0.520272 0.236705 0.048434 F\n",
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"updated_at": "2022-09-04T14:36:06.746549Z",
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"structure_string": "Ba2 Ti1 Hg1\n1.0\n0.000000 4.108049 4.108049\n4.108049 0.000000 4.108049\n4.108049 4.108049 0.000000\nBa Ti Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Hg\n",
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"structure_string": "Ba2 Ti1 Br1\n1.0\n-0.000000 4.217468 4.217468\n4.217468 -0.000000 4.217468\n4.217468 4.217468 0.000000\nBa Ti Br\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Br\n",
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