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"structure_string": "Ba1 Ca1 I1\n1.0\n4.074335 -0.000000 -0.000000\n0.000000 4.074335 -0.000000\n0.000000 0.000000 10.168785\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.322982 Ba\n0.000000 0.000000 0.708001 Ca\n0.000000 0.000000 -0.001624 I\n",
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"structure_string": "Ba1 Ca1 I1\n1.0\n7.360064 2.740289 0.000000\n2.457088 6.399570 0.000000\n0.000000 0.000000 4.029982\nBa Ca I\n1 1 1\ndirect\n-0.112165 0.046718 0.000000 Ba\n0.477461 -0.113511 0.000000 Ca\n0.013086 0.457762 0.000000 I\n",
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"structure_string": "Ba2 Ca4 I12\n1.0\n7.590095 -0.000000 0.000000\n-0.000000 7.590095 0.000000\n0.000000 0.000000 14.435256\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.332528 Ca\n0.000000 0.000000 0.667472 Ca\n0.500000 0.500000 0.167472 Ca\n0.500000 0.500000 0.832528 Ca\n0.815641 0.184358 0.500000 I\n0.684358 0.684358 0.000000 I\n0.707897 0.707897 0.680251 I\n0.707897 0.707897 0.319749 I\n0.292102 0.292102 0.680251 I\n0.184358 0.815641 0.500000 I\n0.315641 0.315641 0.000000 I\n0.792102 0.207898 0.180251 I\n0.207898 0.792102 0.819749 I\n0.207898 0.792102 0.180251 I\n0.292102 0.292102 0.319749 I\n0.792102 0.207898 0.819749 I\n",
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"structure_string": "Ba2 Ca2 I8\n1.0\n-1.912762 0.000000 8.613217\n2.833191 -7.451054 4.323990\n2.833191 7.451054 4.323990\nBa Ca I\n2 2 8\ndirect\n0.250000 0.385185 0.114815 Ba\n0.750000 0.614816 0.885185 Ba\n0.750000 0.252551 0.247450 Ca\n0.250000 0.747449 0.752551 Ca\n0.216597 0.012134 0.138645 I\n0.914733 0.799911 0.146055 I\n0.283403 0.361355 0.487866 I\n0.585267 0.353946 0.700089 I\n0.414733 0.646055 0.299911 I\n0.716597 0.638645 0.512135 I\n0.085267 0.200089 0.853945 I\n0.783404 0.987866 0.861355 I\n",
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