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{
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{
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{
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{
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"structure_string": "Mn1 Fe3 Si8\n1.0\n2.713396 0.000000 0.000000\n0.000000 2.713396 0.000000\n0.000000 0.000000 20.590516\nMn Fe Si\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.250598 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.749402 Fe\n0.500000 0.500000 0.181714 Si\n0.500000 0.500000 0.431789 Si\n0.500000 0.500000 0.681827 Si\n0.500000 0.500000 0.932254 Si\n0.500000 0.500000 0.067746 Si\n0.500000 0.500000 0.318173 Si\n0.500000 0.500000 0.568211 Si\n0.500000 0.500000 0.818286 Si\n",
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{
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"structure_string": "Mn6 Ni16 As7\n1.0\n0.000000 5.664654 5.664654\n5.664654 0.000000 5.664654\n5.664654 5.664654 0.000000\nMn Ni As\n6 16 7\ndirect\n0.812005 0.812005 0.187995 Mn\n0.812005 0.187995 0.812005 Mn\n0.187995 0.187995 0.812005 Mn\n0.812005 0.187995 0.187995 Mn\n0.187995 0.812005 0.812005 Mn\n0.187995 0.812005 0.187995 Mn\n0.146552 0.617816 0.617816 Ni\n0.617816 0.146552 0.617816 Ni\n0.617816 0.617816 0.146552 Ni\n0.382184 0.853448 0.382184 Ni\n0.617816 0.617816 0.617816 Ni\n0.382184 0.382184 0.853448 Ni\n0.853448 0.382184 0.382184 Ni\n0.163939 0.163939 0.163939 Ni\n0.491816 0.836061 0.836061 Ni\n0.836061 0.491816 0.836061 Ni\n0.836061 0.836061 0.491816 Ni\n0.163939 0.508184 0.163939 Ni\n0.163939 0.163939 0.508184 Ni\n0.508184 0.163939 0.163939 Ni\n0.836061 0.836061 0.836061 Ni\n0.382184 0.382184 0.382184 Ni\n0.500000 0.500000 0.000000 As\n0.000000 0.000000 0.500000 As\n0.500000 0.000000 0.500000 As\n0.000000 0.500000 0.500000 As\n0.500000 0.000000 0.000000 As\n0.000000 0.500000 0.000000 As\n0.500000 0.500000 0.500000 As\n",
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{
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"structure_string": "Na4 Fe4 P4 O16\n1.0\n2.745048 4.267217 0.000101\n-2.744980 4.267173 0.000065\n0.000155 0.000259 13.776131\nNa Fe P O\n4 4 4 16\ndirect\n0.315729 0.315681 0.374997 Na\n0.315776 0.315758 0.874988 Na\n0.684202 0.684228 0.125016 Na\n0.684233 0.684243 0.624993 Na\n0.999956 0.999956 0.499988 Fe\n0.999918 0.999892 0.750015 Fe\n0.999910 0.999932 0.999978 Fe\n0.999928 0.999921 0.249972 Fe\n0.336157 0.336211 0.124982 P\n0.336239 0.336237 0.625011 P\n0.663846 0.663804 0.375006 P\n0.663830 0.663819 0.875023 P\n0.210439 0.676000 0.124994 O\n0.210495 0.675974 0.625013 O\n0.324076 0.789503 0.375000 O\n0.324096 0.789512 0.875028 O\n0.675941 0.210488 0.124984 O\n0.675971 0.210481 0.625001 O\n0.789538 0.324041 0.374999 O\n0.789518 0.324066 0.875007 O\n0.231345 0.231385 0.033811 O\n0.231305 0.231322 0.533860 O\n0.231259 0.231336 0.216135 O\n0.231337 0.231327 0.716172 O\n0.768727 0.768701 0.283852 O\n0.768734 0.768748 0.783871 O\n0.768751 0.768740 0.466140 O\n0.768744 0.768693 0.966163 O\n",
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{
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{
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{
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"structure_string": "Ca1 Mg30 Ti1 O32\n1.0\n8.583183 0.000000 0.000000\n0.000000 8.583183 0.000000\n0.000000 0.000000 8.578049\nCa Mg Ti O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254522 0.000000 0.251794 Mg\n0.254522 0.000000 0.748206 Mg\n0.745478 0.000000 0.251794 Mg\n0.745478 0.000000 0.748206 Mg\n0.250201 0.500000 0.250070 Mg\n0.250201 0.500000 0.749930 Mg\n0.749799 0.500000 0.250070 Mg\n0.749799 0.500000 0.749930 Mg\n0.000000 0.254522 0.251794 Mg\n0.000000 0.254522 0.748206 Mg\n0.500000 0.250201 0.250070 Mg\n0.500000 0.250201 0.749930 Mg\n0.000000 0.745478 0.251794 Mg\n0.000000 0.745478 0.748206 Mg\n0.500000 0.749799 0.250070 Mg\n0.500000 0.749799 0.749930 Mg\n0.252935 0.252935 0.000000 Mg\n0.250745 0.250745 0.500000 Mg\n0.747065 0.252935 0.000000 Mg\n0.749255 0.250745 0.500000 Mg\n0.252935 0.747065 0.000000 Mg\n0.250745 0.749255 0.500000 Mg\n0.747065 0.747065 0.000000 Mg\n0.749255 0.749255 0.500000 Mg\n0.000000 0.000000 0.500000 Ti\n0.000000 0.262598 0.000000 O\n0.000000 0.256559 0.500000 O\n0.500000 0.251950 0.000000 O\n0.500000 0.250782 0.500000 O\n0.000000 0.737402 0.000000 O\n0.000000 0.743441 0.500000 O\n0.500000 0.748050 0.000000 O\n0.500000 0.749218 0.500000 O\n0.249319 0.249319 0.249795 O\n0.249319 0.249319 0.750205 O\n0.750681 0.249319 0.249795 O\n0.750681 0.249319 0.750205 O\n0.249319 0.750681 0.249795 O\n0.249319 0.750681 0.750205 O\n0.750681 0.750681 0.249795 O\n0.750681 0.750681 0.750205 O\n0.000000 0.000000 0.259361 O\n0.000000 0.000000 0.740639 O\n0.500000 0.000000 0.251596 O\n0.500000 0.000000 0.748404 O\n0.000000 0.500000 0.251596 O\n0.000000 0.500000 0.748404 O\n0.500000 0.500000 0.250254 O\n0.500000 0.500000 0.749746 O\n0.262598 0.000000 0.000000 O\n0.256559 0.000000 0.500000 O\n0.737402 0.000000 0.000000 O\n0.743441 0.000000 0.500000 O\n0.251950 0.500000 0.000000 O\n0.250782 0.500000 0.500000 O\n0.748050 0.500000 0.000000 O\n0.749218 0.500000 0.500000 O\n",
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{
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"elements": [
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"formula_full": "Si3 Pt6",
"formula_reduced": "SiPt2",
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]
}