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"structure_string": "Ca2 S4\n1.0\n4.363256 2.519127 7.125167\n-4.363256 2.519127 7.125167\n0.000000 -5.038254 7.125167\nCa S\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750001 0.750001 0.750001 Ca\n0.625001 0.625001 0.124999 S\n0.625001 0.625001 0.625001 S\n0.625001 0.124999 0.625001 S\n0.124999 0.625001 0.625001 S\n",
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"structure_string": "Li3 H1\n1.0\n3.660986 0.000000 0.000000\n0.000000 3.660986 0.000000\n0.000000 0.000000 3.660986\nH Li\n1 3\ndirect\n0.000000 0.000000 0.000000 H\n0.499999 0.499999 0.000000 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.499999 0.499999 Li\n",
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"structure_string": "Li6 H2\n1.0\n5.137081 0.000000 0.000000\n-2.568541 4.448842 0.000000\n0.000000 0.000000 4.275003\nH Li\n2 6\ndirect\n0.666669 0.333334 0.250000 H\n0.333333 0.666666 0.750002 H\n0.169614 0.339228 0.250000 Li\n0.169612 0.830387 0.250000 Li\n0.660773 0.830387 0.250000 Li\n0.339225 0.169613 0.750002 Li\n0.830387 0.169613 0.750002 Li\n0.830387 0.660774 0.750002 Li\n",
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"structure_string": "La2 Tl4\n1.0\n0.000000 10.700147 10.700147\n10.700147 0.000000 10.700147\n10.700147 10.700147 0.000000\nLa Tl\n2 4\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 La\n0.625000 0.625000 0.125001 Tl\n0.625000 0.125001 0.625000 Tl\n0.125001 0.625000 0.625000 Tl\n0.625000 0.625000 0.625000 Tl\n",
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"structure_string": "Li1 H1\n1.0\n0.000041 2.071213 2.071213\n2.071213 0.000041 2.071213\n2.071213 2.071213 0.000041\nH Li\n1 1\ndirect\n0.000000 0.000000 0.000000 H\n0.250001 0.250001 0.250001 Li\n",
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"structure_string": "K4 N2\n1.0\n4.174535 2.410169 6.816987\n-4.174535 2.410169 6.816987\n0.000000 -4.820338 6.816987\nK N\n4 2\ndirect\n0.375000 0.375000 0.375000 K\n0.875000 0.375000 0.375000 K\n0.375000 0.875000 0.375000 K\n0.375000 0.375000 0.875000 K\n0.250000 0.250000 0.250000 N\n0.500000 0.500000 0.500000 N\n",
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"structure_string": "Ca4 Tb2\n1.0\n5.728751 3.307496 9.355011\n-5.728751 3.307496 9.355011\n0.000000 -6.614992 9.355011\nCa Tb\n4 2\ndirect\n0.375000 0.375000 0.375000 Ca\n0.875000 0.375000 0.375000 Ca\n0.375000 0.875000 0.375000 Ca\n0.375000 0.375000 0.875000 Ca\n0.250000 0.250000 0.250000 Tb\n0.500000 0.500000 0.500000 Tb\n",
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