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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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"structure_string": "Ba2 Ca4 I12\n1.0\n0.000000 7.688241 0.066255\n8.658168 0.000000 0.000000\n0.000000 -7.588680 -11.615176\nBa Ca I\n2 4 12\ndirect\n0.051493 0.363918 0.498325 Ba\n0.051493 0.636083 -0.001675 Ba\n0.263162 0.759141 0.744570 Ca\n0.770630 0.759263 0.252084 Ca\n0.263162 0.240859 0.244570 Ca\n0.770630 0.240737 0.752084 Ca\n0.645865 0.196484 0.498317 I\n0.538224 0.434740 0.185223 I\n0.856644 0.720354 0.498329 I\n0.164447 0.434638 0.811484 I\n0.998165 0.071761 0.315343 I\n0.538224 0.565260 0.685223 I\n0.645865 0.803516 0.998317 I\n0.363998 0.928382 0.181161 I\n0.856643 0.279646 -0.001671 I\n0.164447 0.565362 0.311484 I\n0.363998 0.071618 0.681162 I\n0.998165 0.928239 0.815343 I\n",
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"structure_string": "Ba1 Ca1 I4\n1.0\n4.814993 0.024226 0.047645\n-0.044148 7.381088 0.010020\n-0.082511 0.007873 7.858230\nBa Ca I\n1 1 4\ndirect\n0.514447 0.003099 0.505477 Ba\n0.014616 0.502971 0.005558 Ca\n0.014209 0.726690 0.669134 I\n0.014687 0.279833 0.342349 I\n0.515040 0.742141 0.140433 I\n0.514086 0.263774 0.870784 I\n",
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