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{
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{
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"structure_string": "Ba2 Ca1 I6\n1.0\n8.420333 -0.000000 -0.000930\n-4.210166 7.292286 0.000466\n0.000223 -0.000000 7.073500\nBa Ca I\n2 1 6\ndirect\n0.333299 0.666670 0.500006 Ba\n0.666629 0.333331 0.500005 Ba\n-0.000009 0.000000 0.000012 Ca\n0.999968 0.681674 0.766852 I\n0.999969 0.318287 0.233195 I\n0.318295 0.318327 0.766852 I\n0.681682 0.681713 0.233195 I\n0.318357 0.000000 0.233087 I\n0.681707 0.000000 0.766796 I\n",
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"structure_string": "Mg1 Hg5\n1.0\n-5.264924 3.039704 0.000000\n-0.000000 -6.079412 -0.000000\n-1.754975 3.039704 4.754103\nMg Hg\n1 5\ndirect\n0.833332 0.500000 0.500001 Mg\n0.946118 0.000000 0.999998 Hg\n0.720544 0.387210 0.999998 Hg\n0.333335 0.612789 0.000000 Hg\n0.189303 0.144030 0.432093 Hg\n0.477363 0.855966 0.567907 Hg\n",
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{
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{
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