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"structure_string": "Sm6 F18\n1.0\n3.483493 -6.033588 0.000000\n3.483493 6.033588 -0.000000\n-0.000000 0.000000 6.953704\nSm F\n6 18\ndirect\n0.328661 0.328661 0.500000 Sm\n0.328662 -0.000000 0.000000 Sm\n-0.000000 0.328662 0.000000 Sm\n-0.000000 0.671338 0.500000 Sm\n0.671338 -0.000000 0.500000 Sm\n0.671338 0.671338 0.000000 Sm\n0.343587 -0.000002 0.666408 F\n0.656413 0.000001 0.166409 F\n-0.000002 0.343587 0.333591 F\n0.343588 0.343587 0.166409 F\n-0.000002 0.656411 0.166409 F\n0.343587 0.343588 0.833591 F\n0.656411 -0.000002 0.833591 F\n0.343588 0.000001 0.333591 F\n0.333332 0.666667 0.000002 F\n0.000001 0.656413 0.833591 F\n0.000001 0.343588 0.666408 F\n0.666667 0.333332 0.500002 F\n0.666667 0.333332 -0.000002 F\n0.333332 0.666667 0.499997 F\n0.000000 0.000000 0.750000 F\n0.000000 0.000000 0.250000 F\n0.656413 0.656411 0.333591 F\n0.656411 0.656413 0.666408 F\n",
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{
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"structure_string": "Cu4 H12 N4 Cl4\n1.0\n-4.180805 4.180805 4.180805\n-4.180805 -4.180805 -4.180805\n4.180805 -4.180805 4.180805\nCu H N Cl\n4 12 4 4\ndirect\n0.000000 0.243549 0.000000 Cu\n0.499999 0.499999 0.243549 Cu\n0.756450 0.256450 0.256450 Cu\n0.743549 0.000000 0.499999 Cu\n0.134903 0.969470 0.988653 H\n0.646249 0.511345 0.980816 H\n0.488654 0.634903 0.969470 H\n0.853750 0.834568 0.865095 H\n0.019183 0.530528 0.665431 H\n0.365096 0.353750 0.834568 H\n0.165431 0.519182 0.530528 H\n0.030529 0.665431 0.519182 H\n0.480816 0.146249 0.511345 H\n0.334568 0.865095 0.353750 H\n0.011346 0.980816 0.146249 H\n0.469471 0.988653 0.634903 H\n0.499999 0.499999 0.980359 N\n0.000000 0.980359 0.000000 N\n0.480359 0.000000 0.499999 N\n0.019640 0.519639 0.519639 N\n0.499999 0.499999 0.536689 Cl\n0.000000 0.536689 0.000000 Cl\n0.036689 0.000000 0.499999 Cl\n0.463310 0.963310 0.963310 Cl\n",
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"structure_string": "Sr2 Fe2 O4 F2\n1.0\n4.663987 -0.010455 2.720233\n-1.435827 4.437487 2.720233\n-0.120850 -0.165732 5.685598\nSr Fe O F\n2 2 4 2\ndirect\n0.258695 0.258695 0.500081 Sr\n0.741305 0.741305 0.499918 Sr\n0.500000 -0.000001 -0.000000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.710801 0.710801 0.078245 O\n0.289199 0.289199 0.921754 O\n0.249911 0.750089 -0.000001 O\n0.750088 0.249911 -0.000000 O\n0.795028 0.204972 0.500000 F\n0.204972 0.795028 0.499999 F\n",
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"structure_string": "Na1 Be2 Fe1\n1.0\n-1.812821 1.812821 3.706268\n1.812821 -1.812821 3.706268\n1.812821 1.812821 -3.706268\nNa Be Fe\n1 2 1\ndirect\n0.750000 0.250000 0.500000 Na\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.500000 0.500000 0.000000 Fe\n",
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"structure_string": "Li1 Al1 O1\n1.0\n-0.000000 2.633779 2.633779\n2.633779 -0.000000 2.633779\n2.633779 2.633779 0.000000\nLi Al O\n1 1 1\ndirect\n0.499999 0.499999 0.499999 Li\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 O\n",
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