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{
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{
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{
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"structure_string": "Tl4 Mo30 Se38\n1.0\n19.693877 -4.940323 0.000000\n19.693877 4.940323 0.000000\n18.454568 0.000000 8.466669\nTl Mo Se\n4 30 38\ndirect\n0.385113 0.385113 0.385113 Tl\n0.885113 0.885113 0.885113 Tl\n0.614887 0.614887 0.614887 Tl\n0.114887 0.114887 0.114887 Tl\n0.313894 0.502262 0.625193 Mo\n0.625193 0.313894 0.502262 Mo\n0.502262 0.625193 0.313894 Mo\n0.125193 0.002262 0.813894 Mo\n0.813894 0.125193 0.002262 Mo\n0.002262 0.813894 0.125193 Mo\n0.686106 0.497738 0.374807 Mo\n0.374807 0.686106 0.497738 Mo\n0.497738 0.374807 0.686106 Mo\n0.874807 0.997738 0.186106 Mo\n0.186106 0.874807 0.997738 Mo\n0.997738 0.186106 0.874807 Mo\n0.139987 0.277598 0.449996 Mo\n0.449996 0.139987 0.277598 Mo\n0.277598 0.449996 0.139987 Mo\n0.949996 0.777598 0.639987 Mo\n0.639987 0.949996 0.777598 Mo\n0.777598 0.639987 0.949996 Mo\n0.860013 0.722402 0.550004 Mo\n0.550004 0.860013 0.722402 Mo\n0.722402 0.550004 0.860013 Mo\n0.050004 0.222402 0.360013 Mo\n0.360013 0.050004 0.222402 Mo\n0.222402 0.360013 0.050004 Mo\n0.092292 0.407708 0.250000 Mo\n0.250000 0.092292 0.407708 Mo\n0.407708 0.250000 0.092292 Mo\n0.750000 0.907708 0.592292 Mo\n0.592292 0.750000 0.907708 Mo\n0.907708 0.592292 0.750000 Mo\n0.445423 0.198687 0.806021 Se\n0.806021 0.445423 0.198687 Se\n0.198687 0.806021 0.445423 Se\n0.306021 0.698687 0.945423 Se\n0.945423 0.306021 0.698687 Se\n0.698687 0.945423 0.306021 Se\n0.554577 0.801313 0.193979 Se\n0.193979 0.554577 0.801313 Se\n0.801313 0.193979 0.554577 Se\n0.693979 0.301313 0.054577 Se\n0.054577 0.693979 0.301313 Se\n0.301313 0.054577 0.693979 Se\n0.967667 0.578788 0.310736 Se\n0.310736 0.967667 0.578788 Se\n0.578788 0.310736 0.967667 Se\n0.810736 0.078788 0.467667 Se\n0.467667 0.810736 0.078788 Se\n0.078788 0.467667 0.810736 Se\n0.032333 0.421212 0.689264 Se\n0.689264 0.032333 0.421212 Se\n0.421212 0.689264 0.032333 Se\n0.189264 0.921212 0.532333 Se\n0.532333 0.189264 0.921212 Se\n0.921212 0.532333 0.189264 Se\n0.554373 0.945627 0.250000 Se\n0.250000 0.554373 0.945627 Se\n0.945627 0.250000 0.554373 Se\n0.750000 0.445627 0.054373 Se\n0.054373 0.750000 0.445627 Se\n0.445627 0.054373 0.750000 Se\n0.445598 0.445598 0.445598 Se\n0.945598 0.945598 0.945598 Se\n0.554402 0.554402 0.554402 Se\n0.054402 0.054402 0.054402 Se\n0.324049 0.324049 0.324049 Se\n0.824049 0.824049 0.824049 Se\n0.675951 0.675951 0.675951 Se\n0.175951 0.175951 0.175951 Se\n",
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{
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{
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{
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"structure_string": "Ca4 Sc8 S16\n1.0\n3.743988 0.000000 0.000000\n0.000000 11.567763 0.000000\n0.000000 0.000000 13.532315\nCa Sc S\n4 8 16\ndirect\n0.750000 0.260190 0.832963 Ca\n0.250000 0.739810 0.167037 Ca\n0.750000 0.760190 0.667037 Ca\n0.250000 0.239810 0.332963 Ca\n0.250000 0.585314 0.903312 Sc\n0.750000 0.414686 0.096688 Sc\n0.250000 0.085314 0.596688 Sc\n0.750000 0.914686 0.403312 Sc\n0.750000 0.942340 0.888057 Sc\n0.250000 0.057660 0.111943 Sc\n0.750000 0.442340 0.611943 Sc\n0.250000 0.557660 0.388057 Sc\n0.250000 0.591412 0.575002 S\n0.750000 0.408588 0.424998 S\n0.250000 0.091412 0.924998 S\n0.750000 0.908588 0.075002 S\n0.250000 0.467068 0.215040 S\n0.750000 0.532932 0.784960 S\n0.250000 0.967068 0.284960 S\n0.750000 0.032932 0.715040 S\n0.250000 0.874245 0.532880 S\n0.750000 0.125755 0.467120 S\n0.250000 0.374245 0.967120 S\n0.750000 0.625755 0.032880 S\n0.750000 0.702181 0.330712 S\n0.250000 0.297819 0.669288 S\n0.750000 0.202181 0.169288 S\n0.250000 0.797819 0.830712 S\n",
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