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"structure_string": "Ge2 S2\n1.0\n3.904264 0.000000 0.000000\n0.000000 3.638646 -1.390844\n0.000000 0.144243 5.832388\nGe S\n2 2\ndirect\n0.250000 0.136176 0.272353 Ge\n0.749999 0.863824 0.727648 Ge\n0.250000 0.353688 0.707377 S\n0.749999 0.646312 0.292624 S\n",
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"structure_string": "Ca3 Mg3\n1.0\n3.688936 0.000000 0.000000\n-1.844468 3.194711 -0.000000\n-0.000000 -0.000000 16.456631\nCa Mg\n3 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666668 0.333333 0.333333 Ca\n0.333333 0.666667 0.666667 Ca\n0.333333 0.666667 0.166667 Mg\n0.000000 0.000000 0.500000 Mg\n0.666668 0.333333 0.833333 Mg\n",
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{
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"structure_string": "Ti4 Se4\n1.0\n-1.793557 -3.106532 0.000000\n1.793557 -3.106532 0.000000\n-0.000000 -2.071021 12.851041\nTi Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.084307 0.084307 0.747079 Ti\n0.915692 0.915692 0.252921 Ti\n0.208089 0.208089 0.375730 Se\n0.791910 0.791910 0.624270 Se\n0.375234 0.375234 0.874296 Se\n0.624765 0.624765 0.125704 Se\n",
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{
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"structure_string": "Na1 O1\n1.0\n2.847484 -0.000000 -0.000000\n-0.000000 2.847484 -0.000000\n0.000000 0.000000 2.847484\nNa O\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 O\n",
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{
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{
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