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"structure_string": "K6 Na2 Mo4 O16\n1.0\n6.044619 0.000000 0.000000\n-3.022309 5.176209 -0.037225\n0.000000 -0.108669 15.212547\nK Na Mo O\n6 2 4 16\ndirect\n0.356106 0.652697 0.084107 K\n0.643894 0.347303 0.915893 K\n0.067790 -0.000000 0.250000 K\n0.932211 -0.000000 0.750000 K\n0.703408 0.347303 0.415893 K\n0.296592 0.652697 0.584107 K\n0.000000 0.000000 0.000000 Na\n-0.000000 -0.000000 0.500000 Na\n0.364051 0.676962 0.360752 Mo\n0.635949 0.323038 0.639248 Mo\n0.687088 0.323038 0.139248 Mo\n0.312912 0.676962 0.860752 Mo\n0.620095 0.358949 0.250277 O\n0.379905 0.641051 0.749723 O\n0.389559 0.161455 0.080578 O\n0.160052 0.863000 0.874785 O\n0.261146 0.641051 0.249723 O\n0.771897 0.161455 0.580578 O\n0.297053 0.136999 0.625215 O\n0.872430 0.627609 0.087298 O\n0.702947 0.863001 0.374785 O\n0.127570 0.372391 0.912701 O\n0.228103 0.838545 0.419422 O\n0.839948 0.136999 0.125215 O\n0.610441 0.838544 0.919422 O\n0.738854 0.358949 0.750277 O\n0.244821 0.372391 0.412701 O\n0.755179 0.627609 0.587299 O\n",
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{
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{
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"structure_string": "K2 Na1 Mo1 Cl6\n1.0\n6.234918 -0.000000 3.599731\n2.078306 5.878337 3.599731\n-0.000000 -0.000000 7.199463\nK Na Mo Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Mo\n0.760314 0.239687 0.239686 Cl\n0.239687 0.239687 0.760313 Cl\n0.239687 0.760314 0.760312 Cl\n0.239687 0.760314 0.239686 Cl\n0.760314 0.239687 0.760312 Cl\n0.760314 0.760314 0.239686 Cl\n",
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"structure_string": "K2 Na1 Mo1 Br6\n1.0\n6.604685 -0.000000 3.813216\n2.201562 6.226957 3.813216\n0.000000 0.000000 7.626433\nK Na Mo Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Mo\n0.760096 0.239904 0.239904 Br\n0.239904 0.239904 0.760096 Br\n0.239903 0.760097 0.760096 Br\n0.239903 0.760097 0.239904 Br\n0.760096 0.239904 0.760097 Br\n0.760095 0.760097 0.239905 Br\n",
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"structure_string": "K4 Na4 Mn4 O8\n1.0\n6.687691 0.059956 0.000000\n-0.187991 6.685318 0.000000\n0.000000 0.000000 7.023171\nK Na Mn O\n4 4 4 8\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 K\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.649379 0.649379 0.250000 Na\n0.350621 0.350622 0.250000 Na\n0.649379 0.649379 0.750000 Na\n0.350621 0.350622 0.750000 Na\n0.631258 0.164280 0.000000 Mn\n0.164279 0.631259 0.500000 Mn\n0.368742 0.835721 0.000000 Mn\n0.835721 0.368742 0.500000 Mn\n0.301341 0.698659 0.750000 O\n0.864290 0.690070 0.500000 O\n0.301341 0.698659 0.250000 O\n0.698659 0.301342 0.250000 O\n0.135710 0.309931 0.500000 O\n0.690069 0.864290 0.000000 O\n0.309931 0.135711 0.000000 O\n0.698659 0.301342 0.750000 O\n",
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"structure_string": "K1 Na1 Mg2 F6\n1.0\n3.959867 -0.000000 0.000000\n0.000000 3.959867 0.000000\n-0.000000 -0.000000 7.917063\nK Na Mg F\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 -0.000000 Na\n0.000000 0.000000 0.246383 Mg\n0.000000 0.000000 0.753616 Mg\n0.500000 0.000000 0.242889 F\n0.500000 0.000000 0.757111 F\n-0.000000 0.500000 0.757111 F\n-0.000000 0.500000 0.242889 F\n0.000000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n",
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"structure_string": "K1 Na1 Mg2 F6\n1.0\n4.847231 -0.000000 2.798550\n1.615744 4.570013 2.798550\n-0.000000 -0.000000 5.597100\nK Na Mg F\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Na\n0.250000 0.250000 0.250000 Mg\n0.749999 0.749999 0.750000 Mg\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.500000 F\n-0.000000 0.500000 0.000000 F\n-0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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"structure_string": "K2 Na1 Lu1 Cl6\n1.0\n6.382673 0.000000 3.685038\n2.127557 6.017642 3.685038\n-0.000000 -0.000000 7.370075\nK Na Lu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Na\n0.000000 0.000000 0.000000 Lu\n0.755147 0.244853 0.244854 Cl\n0.244853 0.244853 0.755148 Cl\n0.244853 0.755147 0.755148 Cl\n0.244853 0.755147 0.244853 Cl\n0.755147 0.244853 0.755148 Cl\n0.755147 0.755147 0.244854 Cl\n",
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