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"structure_string": "Mg2 Sc4 S8\n1.0\n6.526797 -0.000000 3.768248\n2.175599 6.153524 3.768248\n0.000000 -0.000000 7.536497\nMg Sc S\n2 4 8\ndirect\n0.875001 0.874999 0.875001 Mg\n0.125000 0.125000 0.125000 Mg\n0.500000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.257652 0.257652 0.727045 S\n0.742349 0.742348 0.742349 S\n0.742349 0.742348 0.272955 S\n0.257652 0.727045 0.257652 S\n0.257652 0.257652 0.257652 S\n0.272955 0.742348 0.742349 S\n0.742348 0.272955 0.742348 S\n0.727045 0.257652 0.257652 S\n",
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