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"structure_string": "Lu1 Th3\n1.0\n5.039086 -0.000000 0.000000\n-0.000000 5.039086 0.000000\n-0.000000 -0.000000 5.039086\nLu Th\n1 3\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Th\n0.500000 0.000000 0.500000 Th\n0.500000 0.500000 0.000000 Th\n",
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"structure_string": "Li2 Br2\n1.0\n2.062195 -3.571826 0.000000\n2.062195 3.571826 0.000000\n0.000000 -0.000000 6.655743\nLi Br\n2 2\ndirect\n0.333334 0.666668 0.376848 Li\n0.666668 0.333334 0.876848 Li\n0.333334 0.666668 0.998149 Br\n0.666668 0.333334 0.498150 Br\n",
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