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{
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{
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{
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"structure_string": "Tm4 Mg2 Se8\n1.0\n0.000000 5.791875 5.791875\n5.791875 0.000000 5.791875\n5.791875 5.791875 0.000000\nTm Mg Se\n4 2 8\ndirect\n0.125000 0.625000 0.125000 Tm\n0.125000 0.125000 0.125000 Tm\n0.625000 0.125000 0.125000 Tm\n0.125000 0.125000 0.625000 Tm\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.369584 0.369584 0.891247 Se\n0.880416 0.358753 0.880416 Se\n0.880416 0.880416 0.358753 Se\n0.369584 0.369584 0.369584 Se\n0.369584 0.891247 0.369584 Se\n0.358753 0.880416 0.880416 Se\n0.880416 0.880416 0.880416 Se\n0.891247 0.369584 0.369584 Se\n",
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{
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{
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"structure_string": "Li5 Mg1\n1.0\n1.538335 5.645846 0.000000\n-1.538335 5.645846 0.000000\n0.000000 1.898588 6.986277\nLi Mg\n5 1\ndirect\n0.999195 0.999195 0.999716 Li\n0.278405 0.278405 0.943387 Li\n0.666617 0.666617 0.667761 Li\n0.943949 0.943949 0.612309 Li\n0.333582 0.333582 0.333710 Li\n0.611587 0.611587 0.276450 Mg\n",
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]
}