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"structure_string": "Al2 Tl2 Se4\n1.0\n5.634493 0.000000 3.099248\n2.817246 5.751420 1.549624\n0.045338 0.000000 6.589005\nAl Tl Se\n2 2 4\ndirect\n0.250000 0.500000 0.500000 Al\n0.750000 0.500000 0.500000 Al\n0.750000 -0.000000 0.000000 Tl\n0.250000 -0.000000 0.000000 Tl\n0.840835 0.500000 0.818330 Se\n0.659165 0.181671 0.500000 Se\n0.159165 0.500000 0.181671 Se\n0.340836 0.818329 0.500000 Se\n",
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"structure_string": "Ti12 O2\n1.0\n2.547377 -4.412186 -0.000000\n2.547377 4.412186 -0.000000\n0.000000 0.000000 9.461706\nTi O\n12 2\ndirect\n0.667935 0.664646 0.881217 Ti\n0.332066 0.996712 0.381217 Ti\n0.664646 0.996712 0.118784 Ti\n0.664646 0.667935 0.381217 Ti\n0.335355 0.332066 0.618784 Ti\n0.996712 0.332066 0.881217 Ti\n0.335355 0.003289 0.881217 Ti\n0.667935 0.003289 0.618784 Ti\n0.003289 0.335355 0.381217 Ti\n0.332066 0.335355 0.118784 Ti\n0.003289 0.667935 0.118784 Ti\n0.996712 0.664646 0.618784 Ti\n0.666668 0.333333 0.750000 O\n0.333333 0.666668 0.250000 O\n",
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{
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