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{
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"structure_string": "Be1 In1 Si2\n1.0\n0.000000 3.213700 3.213700\n3.213700 0.000000 3.213700\n3.213700 3.213700 0.000000\nBe In Si\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Si\n0.250000 0.250000 0.250000 Si\n",
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{
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"structure_string": "In6 Mo30 Se38\n1.0\n19.687538 0.000000 0.000000\n0.000000 9.916273 0.000000\n0.000000 4.917279 8.692816\nIn Mo Se\n6 30 38\ndirect\n0.375556 0.323533 0.333858 In\n0.875556 0.676467 0.666142 In\n0.624444 0.676467 0.666142 In\n0.124444 0.323533 0.333858 In\n0.250000 0.779342 0.181205 In\n0.750000 0.220658 0.818795 In\n0.366013 0.682519 0.813051 Mo\n0.364476 0.503838 0.686025 Mo\n0.365441 0.811534 0.509242 Mo\n0.866013 0.317481 0.186949 Mo\n0.864476 0.496162 0.313975 Mo\n0.865441 0.188466 0.490758 Mo\n0.633987 0.317481 0.186949 Mo\n0.635524 0.496162 0.313975 Mo\n0.634559 0.188466 0.490758 Mo\n0.133987 0.682519 0.813051 Mo\n0.135524 0.503838 0.686025 Mo\n0.134559 0.811534 0.509242 Mo\n0.444224 0.983367 0.852695 Mo\n0.444233 0.162426 0.987296 Mo\n0.442468 0.851496 0.162398 Mo\n0.944224 0.016633 0.147305 Mo\n0.944233 0.837574 0.012704 Mo\n0.942468 0.148504 0.837602 Mo\n0.555776 0.016633 0.147305 Mo\n0.555767 0.837574 0.012704 Mo\n0.557532 0.148504 0.837602 Mo\n0.055776 0.983367 0.852695 Mo\n0.055767 0.162426 0.987296 Mo\n0.057532 0.851496 0.162398 Mo\n0.250000 0.828343 0.656794 Mo\n0.250000 0.510933 0.830197 Mo\n0.250000 0.654361 0.510169 Mo\n0.750000 0.171657 0.343206 Mo\n0.750000 0.489067 0.169803 Mo\n0.750000 0.345639 0.489831 Mo\n0.250000 0.687455 0.955225 Se\n0.250000 0.354893 0.685236 Se\n0.250000 0.958607 0.358765 Se\n0.750000 0.312545 0.044775 Se\n0.750000 0.645107 0.314764 Se\n0.750000 0.041393 0.641235 Se\n0.339702 0.006330 0.989957 Se\n0.839702 0.993670 0.010043 Se\n0.660298 0.993670 0.010043 Se\n0.160298 0.006330 0.989957 Se\n0.358431 0.988408 0.634866 Se\n0.358013 0.378711 0.988870 Se\n0.366435 0.624853 0.389615 Se\n0.858431 0.011592 0.365134 Se\n0.858013 0.621289 0.011130 Se\n0.866435 0.375147 0.610385 Se\n0.641569 0.011592 0.365134 Se\n0.641987 0.621289 0.011130 Se\n0.633565 0.375147 0.610385 Se\n0.141569 0.988408 0.634866 Se\n0.141987 0.378711 0.988870 Se\n0.133565 0.624853 0.389615 Se\n0.447465 0.680230 0.033902 Se\n0.450153 0.286805 0.685933 Se\n0.446655 0.029004 0.287240 Se\n0.947465 0.319770 0.966098 Se\n0.950153 0.713195 0.314067 Se\n0.946655 0.970996 0.712760 Se\n0.552535 0.319770 0.966098 Se\n0.549847 0.713195 0.314067 Se\n0.553345 0.970996 0.712760 Se\n0.052535 0.680230 0.033902 Se\n0.049847 0.286805 0.685933 Se\n0.053345 0.029004 0.287240 Se\n0.968838 0.332047 0.330887 Se\n0.468838 0.667953 0.669113 Se\n0.031162 0.667953 0.669113 Se\n0.531162 0.332047 0.330887 Se\n",
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{
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{
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{
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{
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"formula_full": "Li4 Ni4 O4 F4",
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}