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{
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{
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{
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{
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"structure_string": "Y2 Be2 N2 F12\n1.0\n5.929447 0.000000 0.000000\n0.000000 6.608073 0.000000\n0.000000 2.983256 6.848752\nY Be N F\n2 2 2 12\ndirect\n0.250000 0.371151 0.221832 Y\n0.750000 0.628849 0.778168 Y\n0.250000 0.779980 0.453958 Be\n0.750000 0.220020 0.546042 Be\n0.250000 0.217197 0.850059 N\n0.750000 0.782803 0.149941 N\n0.461368 0.753709 0.586476 F\n0.538632 0.246291 0.413524 F\n0.961368 0.246291 0.413524 F\n0.038632 0.753709 0.586476 F\n0.250000 0.597784 0.372072 F\n0.750000 0.402216 0.627928 F\n0.545638 0.644103 0.050093 F\n0.454362 0.355897 0.949907 F\n0.045638 0.355897 0.949907 F\n0.954362 0.644103 0.050093 F\n0.250000 0.012611 0.280606 F\n0.750000 0.987389 0.719394 F\n",
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{
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"structure_string": "Cs1 Mg14 Cu1\n1.0\n6.555937 0.108224 0.000000\n-3.184244 5.515271 0.000000\n0.000000 0.000000 10.716283\nCs Mg Cu\n1 14 1\ndirect\n0.162782 0.831391 0.125000 Cs\n0.159892 0.329946 0.625000 Mg\n0.165689 0.832844 0.625000 Mg\n0.659868 0.337988 0.125000 Mg\n0.664668 0.328845 0.625000 Mg\n0.659868 0.821879 0.125000 Mg\n0.664668 0.835821 0.625000 Mg\n0.340462 0.179514 0.390700 Mg\n0.340462 0.179514 0.859300 Mg\n0.340462 0.660949 0.390700 Mg\n0.340462 0.660949 0.859300 Mg\n0.843654 0.171828 0.361488 Mg\n0.843654 0.171828 0.888512 Mg\n0.822508 0.661254 0.394628 Mg\n0.822508 0.661254 0.855372 Mg\n0.168392 0.334195 0.125000 Cu\n",
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{
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{
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{
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{
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"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n2.560945 4.450725 -0.000031\n0.000040 -0.000095 10.213588\n2.574360 -4.443418 0.000051\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147900 0.749999 0.500002 Li\n0.352078 0.250000 0.499995 Li\n0.647941 0.750001 0.499996 Li\n0.852043 0.250001 0.499992 Li\n0.000027 0.999998 0.000036 Ti\n0.499991 0.499997 0.999959 Ti\n0.663855 0.000002 0.327793 Cr\n0.836068 0.499988 0.672220 Cr\n0.163914 0.499976 0.327771 Cr\n0.336140 0.000020 0.672246 Cr\n0.177944 0.598911 0.999947 O\n0.322063 0.098922 0.000040 O\n0.677994 0.901092 0.000054 O\n0.822014 0.401083 0.999953 O\n0.006578 0.106469 0.336496 O\n0.993469 0.893536 0.663581 O\n0.170078 0.393534 0.663505 O\n0.493443 0.606458 0.663498 O\n0.329943 0.893542 0.336500 O\n0.506520 0.393537 0.336416 O\n0.829890 0.606465 0.336417 O\n0.670105 0.106468 0.663583 O\n",
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{
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"structure_string": "H8 I8\n1.0\n6.160672 6.203084 0.000000\n-6.160672 6.203084 0.000000\n0.000000 6.154826 7.715090\nH I\n8 8\ndirect\n0.560714 0.757395 0.020092 H\n0.242605 0.439286 0.479908 H\n0.439286 0.242605 0.979908 H\n0.757395 0.560714 0.520092 H\n0.766514 0.430005 0.998859 H\n0.569995 0.233486 0.501141 H\n0.233486 0.569995 0.001141 H\n0.430005 0.766514 0.498859 H\n0.745948 0.748880 0.023590 I\n0.251120 0.254052 0.476410 I\n0.254052 0.251120 0.976410 I\n0.748880 0.745948 0.523590 I\n0.765268 0.244237 0.996425 I\n0.755763 0.234732 0.503575 I\n0.234732 0.755763 0.003575 I\n0.244237 0.765268 0.496425 I\n",
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}