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{
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{
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{
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{
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{
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{
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"structure_string": "Sc8 Si4 Pt14\n1.0\n4.028774 0.000000 0.000000\n0.000000 6.536937 0.000000\n0.000000 0.000000 16.340527\nSc Si Pt\n8 4 14\ndirect\n0.000000 0.285121 0.460995 Sc\n0.000000 0.714879 0.539005 Sc\n0.000000 0.785121 0.039005 Sc\n0.000000 0.214879 0.960995 Sc\n0.000000 0.526044 0.290791 Sc\n0.000000 0.473956 0.709209 Sc\n0.000000 0.026044 0.209209 Sc\n0.000000 0.973956 0.790791 Sc\n0.500000 0.839507 0.306925 Si\n0.500000 0.160493 0.693075 Si\n0.500000 0.339507 0.193075 Si\n0.500000 0.660493 0.806925 Si\n0.000000 0.907496 0.382147 Pt\n0.000000 0.092504 0.617853 Pt\n0.000000 0.407496 0.117853 Pt\n0.000000 0.592504 0.882147 Pt\n0.500000 0.595776 0.420964 Pt\n0.500000 0.404224 0.579036 Pt\n0.500000 0.095776 0.079036 Pt\n0.500000 0.904224 0.920964 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.214261 0.332340 Pt\n0.500000 0.785739 0.667660 Pt\n0.500000 0.714261 0.167660 Pt\n0.500000 0.285739 0.832340 Pt\n",
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{
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"structure_string": "Cd8 I16\n1.0\n2.166725 -3.752878 0.000000\n2.166725 3.752878 0.000000\n0.000000 0.000000 59.359976\nCd I\n8 16\ndirect\n0.333333 0.666667 0.531273 Cd\n0.666667 0.333333 0.906221 Cd\n0.333333 0.666667 0.781272 Cd\n0.666667 0.333333 0.031267 Cd\n0.666667 0.333333 0.406217 Cd\n0.000000 0.000000 0.156184 Cd\n0.666667 0.333333 0.656213 Cd\n0.333333 0.666667 0.281320 Cd\n0.000000 0.000000 0.002234 I\n0.333333 0.666667 0.685280 I\n0.666667 0.333333 0.127115 I\n0.000000 0.000000 0.252294 I\n0.000000 0.000000 0.377161 I\n0.333333 0.666667 0.060319 I\n0.666667 0.333333 0.810324 I\n0.333333 0.666667 0.185231 I\n0.666667 0.333333 0.560326 I\n0.000000 0.000000 0.627158 I\n0.333333 0.666667 0.435284 I\n0.333333 0.666667 0.935285 I\n0.000000 0.000000 0.877172 I\n0.666667 0.333333 0.310377 I\n0.000000 0.000000 0.502235 I\n0.000000 0.000000 0.752236 I\n",
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{
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{
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{
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"structure_string": "La8 Se12 O36\n1.0\n7.167089 0.000000 0.000000\n0.000000 8.573157 0.000000\n0.000000 0.000000 14.456545\nLa Se O\n8 12 36\ndirect\n0.179129 0.300251 0.063888 La\n0.679129 0.199749 0.936112 La\n0.320871 0.800251 0.436112 La\n0.820871 0.699749 0.563888 La\n0.820871 0.699749 0.936112 La\n0.320871 0.800251 0.063888 La\n0.679129 0.199749 0.563888 La\n0.179129 0.300251 0.436112 La\n0.179426 0.047834 0.875445 Se\n0.679426 0.452166 0.124555 Se\n0.320574 0.547834 0.624555 Se\n0.820574 0.952166 0.375445 Se\n0.593678 0.956202 0.750000 Se\n0.093678 0.543798 0.250000 Se\n0.906322 0.456202 0.750000 Se\n0.406322 0.043798 0.250000 Se\n0.820574 0.952166 0.124555 Se\n0.320574 0.547834 0.875445 Se\n0.679426 0.452166 0.375445 Se\n0.179426 0.047834 0.624555 Se\n0.739425 0.942945 0.845642 O\n0.239425 0.557055 0.154358 O\n0.760575 0.442945 0.654358 O\n0.260575 0.057055 0.345642 O\n0.260575 0.057055 0.154358 O\n0.760575 0.442945 0.845642 O\n0.239425 0.557055 0.345642 O\n0.739425 0.942945 0.654358 O\n0.432390 0.844170 0.250000 O\n0.932390 0.655830 0.750000 O\n0.067610 0.344170 0.250000 O\n0.567610 0.155830 0.750000 O\n0.090971 0.880334 0.922684 O\n0.590971 0.619666 0.077316 O\n0.409029 0.380334 0.577316 O\n0.909029 0.119666 0.422684 O\n0.029433 0.198533 0.596129 O\n0.529433 0.301467 0.403871 O\n0.470567 0.698533 0.903871 O\n0.970567 0.801467 0.096129 O\n0.970567 0.801467 0.403871 O\n0.470567 0.698533 0.596129 O\n0.529433 0.301467 0.096129 O\n0.029433 0.198533 0.903871 O\n0.350070 0.074574 0.539150 O\n0.850070 0.425426 0.460850 O\n0.149930 0.574574 0.960850 O\n0.649930 0.925426 0.039150 O\n0.649930 0.925426 0.460850 O\n0.149930 0.574574 0.539150 O\n0.850070 0.425426 0.039150 O\n0.350070 0.074574 0.960850 O\n0.090971 0.880334 0.577316 O\n0.590971 0.619666 0.422684 O\n0.409029 0.380334 0.922684 O\n0.909029 0.119666 0.077316 O\n",
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{
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{
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"formula_full": "Ca1 Hf1 Rh2",
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]
}