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"structure_string": "Ba1 Ca1 Te1\n1.0\n0.000000 4.130458 4.130458\n4.130458 -0.000000 4.130458\n4.130458 4.130458 -0.000000\nBa Ca Te\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
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"structure_string": "K2 Tl2 I6\n1.0\n7.561022 -0.000000 4.365358\n2.520341 7.128600 4.365358\n-0.000000 -0.000000 8.730716\nK Tl I\n2 2 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Tl\n0.000000 0.000000 0.000000 Tl\n0.750022 0.249977 0.249978 I\n0.249977 0.249977 0.750023 I\n0.249977 0.750023 0.750023 I\n0.249977 0.750023 0.249978 I\n0.750022 0.249977 0.750023 I\n0.750022 0.750023 0.249978 I\n",
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{
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"structure_string": "Rb2 In1 Sb1 I6\n1.0\n7.561119 -0.000000 4.365414\n2.520373 7.128692 4.365414\n-0.000000 -0.000000 8.730829\nRb In Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.754721 0.245279 0.245279 I\n0.245279 0.245279 0.754721 I\n0.245279 0.754721 0.754721 I\n0.245279 0.754721 0.245279 I\n0.754721 0.245279 0.754721 I\n0.754721 0.754721 0.245279 I\n",
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"structure_string": "Ba2 Se1\n1.0\n4.609607 0.663223 -0.231379\n-3.972507 -5.258002 -0.248070\n-0.413118 0.618059 -6.451593\nBa Se\n2 1\ndirect\n0.019601 0.458100 0.962010 Ba\n0.019663 0.958130 0.462115 Ba\n0.019549 0.958065 -0.037874 Se\n",
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{
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