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"structure_string": "Tl2 P2 S6\n1.0\n6.000386 0.000000 3.443127\n2.601487 5.970392 2.416395\n0.002141 0.031957 6.946313\nTl P S\n2 2 6\ndirect\n-0.000000 0.263459 0.736541 Tl\n0.000000 0.736541 0.263458 Tl\n0.663887 0.336114 0.336113 P\n0.336114 0.663886 0.663885 P\n0.534161 0.221142 0.221142 S\n0.976446 0.778858 0.778857 S\n0.500000 0.301331 0.698668 S\n0.500001 0.698669 0.301330 S\n0.465840 0.778858 0.778857 S\n0.023555 0.221142 0.221142 S\n",
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"structure_string": "Rb3 As1 Br6\n1.0\n7.104231 -0.000000 4.101630\n2.368077 6.697933 4.101630\n-0.000000 -0.000000 8.203260\nRb As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.771124 0.228875 0.228876 Br\n0.228876 0.228875 0.771125 Br\n0.228876 0.771124 0.771125 Br\n0.228876 0.771124 0.228876 Br\n0.771124 0.228875 0.771125 Br\n0.771125 0.771124 0.228876 Br\n",
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