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0.441813 Zn\n0.386904 0.752748 0.411913 Zn\n0.264715 0.310238 0.452804 Zn\n0.296145 0.032328 0.359952 Zn\n0.611056 0.771815 0.278823 Zn\n0.575976 0.383894 0.264192 Zn\n0.660820 0.712391 0.663947 Zn\n0.173878 0.218225 0.603321 Zn\n0.447212 0.502100 0.467141 Zn\n0.222838 0.493529 0.276425 Zn\n0.471776 0.535300 0.743092 Zn\n0.289400 0.365947 0.644279 Zn\n0.977953 0.596828 0.353657 Zn\n0.928766 0.134868 0.736540 Zn\n0.142905 0.773461 0.889993 Zn\n0.014497 0.622159 0.991684 Zn\n0.814105 0.511692 0.803788 Zn\n0.212550 0.411192 0.994686 Zn\n0.826799 0.894072 0.534420 Zn\n0.628296 0.008865 0.714545 S\n0.049043 0.021427 0.155711 S\n0.461006 0.158786 0.552465 S\n0.906915 0.210436 0.021817 S\n0.008478 0.262037 0.560219 S\n0.240029 0.246257 0.085827 S\n0.351949 0.397543 0.335365 S\n0.712449 0.763809 0.137375 S\n0.729425 0.328982 0.193086 S\n0.719602 0.379806 0.884547 S\n0.455566 0.406685 0.627486 S\n0.617302 0.600618 0.785732 S\n0.529588 0.221078 0.258245 S\n0.325439 0.581246 0.818165 S\n0.331445 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Li\n0.519476 0.653713 0.980558 Li\n0.769256 0.153830 0.230672 Li\n0.019335 0.653796 0.480729 Li\n0.230525 0.846211 0.769411 Li\n0.480640 0.346172 0.019369 Li\n0.730737 0.846138 0.269361 Li\n0.980865 0.345965 0.519191 Li\n0.499752 0.999734 0.499681 Mn\n0.750129 0.500130 0.749897 Mn\n0.999503 0.000035 0.999565 Mn\n0.250540 0.499982 0.250646 Mn\n0.431240 0.379193 0.568847 Se\n0.681163 0.879364 0.818807 Se\n0.931143 0.379320 0.068932 Se\n0.180992 0.879317 0.318862 Se\n0.068921 0.620703 0.931222 Se\n0.318849 0.120719 0.181095 Se\n0.568854 0.620698 0.431169 Se\n0.818718 0.120750 0.681159 Se\n0.250870 0.499153 0.995486 O\n0.500952 0.999276 0.245573 O\n0.750953 0.499073 0.495170 O\n0.000814 0.999367 0.745727 O\n0.372262 0.254078 0.627389 O\n0.622585 0.754149 0.877658 O\n0.872344 0.254156 0.127722 O\n0.122351 0.754100 0.377709 O\n0.495549 0.500859 0.750809 O\n0.745630 0.000717 0.000954 O\n0.995414 0.500915 0.250943 O\n0.245594 0.000680 0.501016 O\n0.004524 0.499325 0.748981 O\n0.254589 0.999153 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0.391346 Pb\n0.353959 0.658683 0.609494 Pb\n0.829167 0.646784 0.101311 Br\n0.152044 0.351578 0.896096 Br\n0.429169 0.898638 0.315169 Br\n0.506437 0.052914 0.661862 Br\n0.912629 0.292516 0.210284 O\n0.442374 0.266559 0.211512 O\n0.142365 0.756647 0.833766 O\n0.619797 0.676917 0.750009 O\n0.738845 0.028824 0.067025 O\n0.327541 0.048371 0.018073 O\n0.885344 0.800091 0.563715 O\n0.044365 0.206777 0.420134 O\n0.015054 0.573344 0.388974 O\n0.552914 0.585050 0.401145 O\n0.944897 0.412399 0.612934 O\n0.396829 0.384083 0.593979 O\n","nsites":27,"nelements":5,"elements":["Mg","Te","Pb","Br","O"],"chemical_system":"Br-Mg-O-Pb-Te","density":6.198273988121451,"density_atomic":0.04401920258515846,"volume":613.3686758129357,"volume_molar":13.680712976001136,"formula_full":"Mg1 Te4 Pb6 Br4 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0.173540 P\n0.250000 0.895649 0.826460 P\n0.250000 0.075695 0.923780 Se\n0.750000 0.924305 0.076220 Se\n0.750000 0.575695 0.576220 Se\n0.250000 0.424305 0.423780 Se\n0.250000 0.786790 0.419493 Se\n0.750000 0.213210 0.580507 Se\n0.750000 0.286790 0.080507 Se\n0.250000 0.713210 0.919493 Se\n0.001359 0.105974 0.277029 Se\n0.501359 0.894026 0.722971 Se\n0.998641 0.605974 0.222971 Se\n0.498641 0.394026 0.777029 Se\n0.998641 0.894026 0.722971 Se\n0.498641 0.105974 0.277029 Se\n0.001359 0.394026 0.777029 Se\n0.501359 0.605974 0.222971 Se\n","nsites":28,"nelements":4,"elements":["K","Ba","P","Se"],"chemical_system":"Ba-K-P-Se","density":3.7214508684402174,"density_atomic":0.029982032721863606,"volume":933.8926502999158,"volume_molar":20.085832124412672,"formula_full":"K4 Ba4 P4 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