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"structure_string": "Si2 Ni4\n1.0\n1.961216 -3.396925 0.000000\n1.961216 3.396925 0.000000\n0.000000 -0.000000 5.019592\nSi Ni\n2 4\ndirect\n0.666668 0.333334 0.750000 Si\n0.333334 0.666668 0.250000 Si\n0.333334 0.666668 0.750000 Ni\n0.666668 0.333334 0.250000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n",
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"structure_string": "Fe4 Si4\n1.0\n4.467786 -0.000000 0.000000\n-0.000000 4.467786 -0.000000\n0.000000 0.000000 4.467786\nFe Si\n4 4\ndirect\n0.864609 0.635393 0.364608 Fe\n0.635393 0.364608 0.864609 Fe\n0.364608 0.864609 0.635393 Fe\n0.135392 0.135392 0.135392 Fe\n0.159629 0.340372 0.659629 Si\n0.340372 0.659629 0.159629 Si\n0.659629 0.159629 0.340372 Si\n0.840372 0.840372 0.840372 Si\n",
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"structure_string": "Er1 H2\n1.0\n3.131920 -0.000000 1.808215\n1.043974 2.952803 1.808215\n0.000000 0.000000 3.616430\nEr H\n1 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.749999 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n",
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"structure_string": "Ti4 H3\n1.0\n4.198886 0.000000 0.000000\n0.000000 4.198886 0.000000\n0.000000 -0.000000 4.426258\nTi H\n4 3\ndirect\n0.255869 0.255869 0.262866 Ti\n0.744133 0.744133 0.262866 Ti\n0.744133 0.255869 0.737134 Ti\n0.255869 0.744133 0.737134 Ti\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.500001 0.500001 0.000000 H\n",
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{
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"structure_string": "Mo4 O8\n1.0\n0.000000 5.561774 0.363277\n4.892777 0.000000 0.000000\n0.000000 -2.502518 -5.079710\nMo O\n4 8\ndirect\n0.231169 0.007192 0.215254 Mo\n0.231169 0.492808 0.715254 Mo\n0.768830 -0.007192 0.784745 Mo\n0.768830 0.507193 0.284745 Mo\n0.111823 0.717912 0.377759 O\n0.111822 0.782089 0.877759 O\n0.888176 0.217912 0.122241 O\n0.888176 0.282088 0.622241 O\n0.391057 0.197173 0.592759 O\n0.391057 0.302827 0.092759 O\n0.608942 0.697174 0.907240 O\n0.608942 0.802827 0.407240 O\n",
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{
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"structure_string": "Be2 Tc1 Ir1\n1.0\n-1.990197 1.990197 2.814696\n1.990197 -1.990197 2.814696\n1.990197 1.990197 -2.814696\nBe Tc Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.500001 0.500001 0.000000 Be\n0.750001 0.250000 0.500001 Tc\n0.250000 0.750001 0.500001 Ir\n",
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{
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"structure_string": "Ni6 O1 F11\n1.0\n4.644231 0.037355 -0.000060\n0.037343 4.644374 0.000039\n-0.000122 0.000081 9.304709\nNi O F\n6 1 11\ndirect\n0.002753 -0.002753 0.666667 Ni\n0.009878 0.990121 0.324776 Ni\n0.009878 0.990120 0.008557 Ni\n0.474447 0.525551 0.166667 Ni\n0.504981 0.495019 0.833224 Ni\n0.504981 0.495019 0.500110 Ni\n0.188613 0.811387 0.166665 O\n0.809872 0.190127 0.836387 F\n0.702524 0.690524 0.666665 F\n0.692183 0.700442 0.333859 F\n0.692186 0.700440 -0.000528 F\n0.199686 0.800316 0.499062 F\n0.299555 0.307817 0.333861 F\n0.299557 0.307816 -0.000525 F\n0.789868 0.210130 0.166669 F\n0.199688 0.800315 0.834266 F\n0.309473 0.297480 0.666668 F\n0.809871 0.190126 0.496952 F\n",
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{
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{
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"structure_string": "Ca1 Fe2 Bi1 O6\n1.0\n4.685808 0.024855 -2.692175\n-1.557923 4.419309 -2.692175\n-0.017494 -0.024855 5.404100\nCa Fe Bi O\n1 2 1 6\ndirect\n0.985756 0.985756 0.000003 Ca\n0.252984 0.752983 0.500001 Fe\n0.752984 0.252983 0.500001 Fe\n0.461822 0.461822 0.000001 Bi\n0.510346 0.023467 0.000001 O\n0.023467 0.510346 0.000001 O\n0.023467 0.023466 0.513121 O\n0.510347 0.510346 0.486880 O\n0.007867 0.507866 0.500001 O\n0.507867 0.007867 0.500001 O\n",
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