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"structure_string": "Ba8 Ti4 O16\n1.0\n6.168471 0.000000 -0.368073\n0.000000 7.739158 0.000000\n-0.056444 0.000000 10.604509\nBa Ti O\n8 4 16\ndirect\n0.767342 0.843188 0.075389 Ba\n0.232659 0.156812 0.924611 Ba\n0.267342 0.656812 0.575389 Ba\n0.224020 0.499835 0.198017 Ba\n0.275980 0.999835 0.301984 Ba\n0.775980 0.500165 0.801984 Ba\n0.724020 0.000165 0.698017 Ba\n0.732658 0.343188 0.424611 Ba\n0.739761 0.279286 0.082567 Ti\n0.760239 0.779287 0.417434 Ti\n0.260239 0.720714 0.917434 Ti\n0.239762 0.220714 0.582566 Ti\n0.212932 0.490961 0.932691 O\n0.287069 0.990961 0.567309 O\n0.170259 0.318785 0.426484 O\n0.521279 0.237364 0.187641 O\n0.978721 0.737364 0.312360 O\n0.478722 0.762637 0.812360 O\n0.021279 0.262636 0.687641 O\n0.995537 0.173319 0.137450 O\n0.504464 0.673320 0.362551 O\n0.004464 0.826681 0.862551 O\n0.495537 0.326681 0.637450 O\n0.670259 0.181215 0.926484 O\n0.829741 0.681215 0.573517 O\n0.329741 0.818785 0.073517 O\n0.712932 0.009039 0.432691 O\n0.787068 0.509039 0.067309 O\n",
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"structure_string": "Ca4 Se6 O16\n1.0\n5.511787 0.031172 -0.583800\n-1.015970 8.071834 -0.303162\n-0.019035 0.052960 8.758125\nCa Se O\n4 6 16\ndirect\n0.757855 0.042972 0.651628 Ca\n0.242145 0.957027 0.348372 Ca\n0.712009 0.841838 0.041464 Ca\n0.287991 0.158161 0.958536 Ca\n0.729823 0.670768 0.425007 Se\n0.773850 0.445063 0.819973 Se\n0.226149 0.554936 0.180027 Se\n0.180259 0.801083 0.764316 Se\n0.819741 0.198917 0.235684 Se\n0.270177 0.329231 0.574993 Se\n0.007760 0.085220 0.138727 O\n0.992239 0.914779 0.861272 O\n0.544516 0.076915 0.179337 O\n0.551568 0.814222 0.478930 O\n0.086064 0.863425 0.584090 O\n0.253548 0.429264 0.030285 O\n0.746452 0.570735 0.969714 O\n0.318528 0.750489 0.129943 O\n0.681472 0.249511 0.870057 O\n0.507490 0.513789 0.313180 O\n0.492509 0.486210 0.686819 O\n0.125013 0.238048 0.718033 O\n0.874986 0.761952 0.281967 O\n0.448432 0.185777 0.521070 O\n0.913936 0.136574 0.415909 O\n0.455484 0.923083 0.820663 O\n",
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