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{
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{
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"structure_string": "As12 Pb20 Cl4 O48\n1.0\n7.586968 0.000000 0.000000\n0.000000 10.454770 0.000000\n0.000000 10.446012 18.163325\nAs Pb Cl O\n12 20 4 48\ndirect\n0.743762 0.588264 0.764143 As\n0.255701 0.975924 0.057708 As\n0.744299 0.024076 0.942292 As\n0.243762 0.411736 0.735857 As\n0.255387 0.617126 0.454708 As\n0.744613 0.382874 0.545292 As\n0.756238 0.588264 0.264143 As\n0.256238 0.411736 0.235857 As\n0.244299 0.975924 0.557708 As\n0.755701 0.024076 0.442292 As\n0.244613 0.617126 0.954708 As\n0.755387 0.382874 0.045292 As\n0.270709 0.255427 0.629312 Pb\n0.993807 0.667622 0.076756 Pb\n0.770843 0.010611 0.622238 Pb\n0.778313 0.242650 0.754622 Pb\n0.729291 0.744573 0.370688 Pb\n0.270843 0.989389 0.877762 Pb\n0.229157 0.989389 0.377762 Pb\n0.491764 0.334273 0.911165 Pb\n0.770709 0.744573 0.870688 Pb\n0.991764 0.665727 0.588835 Pb\n0.493807 0.332378 0.423244 Pb\n0.008236 0.334273 0.411165 Pb\n0.508236 0.665727 0.088835 Pb\n0.729157 0.010611 0.122238 Pb\n0.278313 0.757350 0.745378 Pb\n0.229291 0.255427 0.129312 Pb\n0.721687 0.242650 0.254622 Pb\n0.221687 0.757350 0.245378 Pb\n0.006193 0.332378 0.923244 Pb\n0.506193 0.667622 0.576756 Pb\n0.487345 0.997244 0.249641 Cl\n0.012655 0.997244 0.749641 Cl\n0.512655 0.002756 0.750359 Cl\n0.987345 0.002756 0.250359 Cl\n0.248405 0.506942 0.915353 O\n0.230598 0.517712 0.549819 O\n0.281329 0.885982 0.507911 O\n0.748405 0.493058 0.584647 O\n0.551790 0.627054 0.795859 O\n0.248851 0.334517 0.830067 O\n0.730598 0.482288 0.950181 O\n0.956558 0.088544 0.398969 O\n0.404377 0.916200 0.624939 O\n0.769402 0.482288 0.450181 O\n0.954195 0.290868 0.058894 O\n0.592771 0.250001 0.080020 O\n0.253045 0.603492 0.689999 O\n0.746955 0.396508 0.310001 O\n0.413272 0.350260 0.703108 O\n0.086728 0.350260 0.203108 O\n0.246955 0.603492 0.189999 O\n0.248047 0.165100 0.502385 O\n0.269402 0.517712 0.049819 O\n0.251953 0.165100 0.002385 O\n0.218671 0.885982 0.007911 O\n0.718671 0.114018 0.492089 O\n0.907229 0.250001 0.580020 O\n0.251149 0.334517 0.330067 O\n0.448210 0.372946 0.204141 O\n0.043442 0.911456 0.601031 O\n0.251595 0.506942 0.415353 O\n0.456558 0.911456 0.101031 O\n0.092771 0.749999 0.419980 O\n0.781329 0.114018 0.992089 O\n0.545805 0.290868 0.558894 O\n0.753045 0.396508 0.810001 O\n0.748851 0.665483 0.669933 O\n0.045805 0.709132 0.941106 O\n0.543442 0.088544 0.898969 O\n0.595623 0.083800 0.375061 O\n0.948210 0.627054 0.295859 O\n0.751595 0.493058 0.084647 O\n0.586728 0.649740 0.296892 O\n0.748047 0.834900 0.997615 O\n0.913272 0.649740 0.796892 O\n0.751953 0.834900 0.497615 O\n0.454195 0.709132 0.441106 O\n0.904377 0.083800 0.875061 O\n0.095623 0.916200 0.124939 O\n0.051790 0.372946 0.704141 O\n0.751149 0.665483 0.169933 O\n0.407229 0.749999 0.919980 O\n",
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"formula_full": "As12 Pb20 Cl4 O48",
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{
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"structure_string": "Tl10 Ag6 P8 S24\n1.0\n3.794506 13.032798 0.000000\n-3.794506 13.032798 0.000000\n0.000000 4.449639 12.403359\nTl Ag P S\n10 6 8 24\ndirect\n0.234278 0.450116 0.115290 Tl\n0.549884 0.765722 0.384710 Tl\n0.765722 0.549884 0.884710 Tl\n0.450116 0.234278 0.615290 Tl\n0.033278 0.289861 0.227474 Tl\n0.710139 0.966722 0.272526 Tl\n0.966722 0.710139 0.772526 Tl\n0.289861 0.033278 0.727474 Tl\n0.501632 0.498368 0.250000 Tl\n0.498368 0.501632 0.750000 Tl\n0.015392 0.984608 0.250000 Ag\n0.984608 0.015392 0.750000 Ag\n0.034699 0.729327 0.465195 Ag\n0.270673 0.965301 0.034805 Ag\n0.965301 0.270673 0.534805 Ag\n0.729327 0.034699 0.965195 Ag\n0.098906 0.422832 0.424766 P\n0.577168 0.901094 0.075234 P\n0.901094 0.577168 0.575234 P\n0.422832 0.098906 0.924766 P\n0.130261 0.840501 0.007718 P\n0.159499 0.869739 0.492282 P\n0.869739 0.159499 0.992282 P\n0.840501 0.130261 0.507718 P\n0.935848 0.571547 0.303530 S\n0.428453 0.064152 0.196470 S\n0.064152 0.428453 0.696470 S\n0.571547 0.935848 0.803530 S\n0.118528 0.758233 0.165986 S\n0.241767 0.881472 0.334014 S\n0.881472 0.241767 0.834014 S\n0.758233 0.118528 0.665986 S\n0.832565 0.756371 0.032903 S\n0.243629 0.167435 0.467097 S\n0.167435 0.243629 0.967097 S\n0.756371 0.832565 0.532903 S\n0.263164 0.414924 0.389549 S\n0.585076 0.736836 0.110451 S\n0.736836 0.585076 0.610451 S\n0.414924 0.263164 0.889549 S\n0.891284 0.232270 0.088931 S\n0.767730 0.108716 0.411069 S\n0.108716 0.767730 0.911069 S\n0.232270 0.891284 0.588931 S\n0.645203 0.249831 0.044764 S\n0.750169 0.354797 0.455236 S\n0.354797 0.750169 0.955236 S\n0.249831 0.645203 0.544764 S\n",
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{
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