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"structure_string": "Lu6 Fe1 Bi2\n1.0\n8.103195 -0.000000 0.000000\n-4.051597 7.017573 0.000000\n0.000000 -0.000000 4.074705\nLu Fe Bi\n6 1 2\ndirect\n0.229101 0.000000 0.500001 Lu\n-0.000000 0.229101 0.500001 Lu\n0.770898 0.770898 0.500001 Lu\n0.619066 0.000000 -0.000000 Lu\n-0.000000 0.619066 -0.000000 Lu\n0.380933 0.380933 -0.000000 Lu\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666666 0.500001 Bi\n0.666666 0.333333 0.500001 Bi\n",
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"structure_string": "Ba5 Hf4 S13\n1.0\n4.950425 0.010255 -0.573759\n-0.076774 4.949841 -0.573759\n0.165430 0.168366 23.074064\nBa Hf S\n5 4 13\ndirect\n0.710948 0.710947 0.421882 Ba\n0.607128 0.607127 0.214292 Ba\n0.289052 0.289052 0.578118 Ba\n0.500000 0.499999 -0.000000 Ba\n0.392872 0.392872 0.785707 Ba\n0.833918 0.833918 0.667855 Hf\n0.055090 0.055090 0.110235 Hf\n0.166081 0.166082 0.332145 Hf\n0.944910 0.944910 0.889765 Hf\n0.163081 0.663077 0.326139 S\n0.445505 0.945518 0.890966 S\n0.663077 0.163080 0.326139 S\n0.336923 0.836920 0.673861 S\n0.220673 0.220673 0.441325 S\n0.836919 0.336922 0.673861 S\n0.109677 0.109677 0.219348 S\n0.554495 0.054481 0.109034 S\n0.945518 0.445504 0.890966 S\n0.000000 0.000000 0.000000 S\n0.890323 0.890323 0.780651 S\n0.779327 0.779326 0.558674 S\n0.054482 0.554496 0.109034 S\n",
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"structure_string": "Br3 O1\n1.0\n5.147701 0.542589 0.200728\n-5.711489 -6.597580 0.473459\n0.800292 3.343187 -3.683712\nBr O\n3 1\ndirect\n0.122855 0.077924 -0.101180 Br\n0.475606 0.731695 0.277526 Br\n0.061657 -0.263346 -0.134958 Br\n0.021290 0.488888 0.845451 O\n",
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{
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