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"structure_string": "Cr1 I2\n1.0\n3.916861 -0.000000 1.141360\n1.821747 3.501327 1.039746\n0.065106 0.242625 7.068101\nCr I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cr\n0.747874 0.747779 0.756476 I\n0.252128 0.252221 0.243525 I\n",
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{
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