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{
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{
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{
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"structure_string": "Ca3 Cr1 F6\n1.0\n-4.609637 -6.165835 2.323757\n-3.439862 5.395666 -2.081618\n0.662414 4.455859 -7.978981\nCa Cr F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Cr\n0.855115 0.341665 0.790531 F\n0.144885 0.658335 0.209469 F\n0.912561 0.897206 0.713238 F\n0.087439 0.102794 0.286762 F\n0.719874 0.812943 0.976485 F\n0.280126 0.187057 0.023515 F\n",
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{
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"structure_string": "As1 Pd6 Pb1\n1.0\n7.492313 -2.275483 0.000000\n7.492313 2.275483 0.000000\n6.801228 0.000000 3.880190\nAs Pd Pb\n1 6 1\ndirect\n0.000000 0.000000 0.000000 As\n0.632819 0.632819 0.632819 Pd\n0.115893 0.115893 0.115893 Pd\n0.884107 0.884107 0.884107 Pd\n0.367181 0.367181 0.367181 Pd\n0.244342 0.244342 0.244342 Pd\n0.755658 0.755658 0.755658 Pd\n0.500000 0.500000 0.500000 Pb\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n-9.831257 -0.012665 -0.025433\n-4.904558 8.493880 -0.001047\n-0.035076 -0.018317 -13.882224\nLi V P O\n12 6 16 58\ndirect\n0.910955 0.777086 0.057152 Li\n0.770695 0.904428 0.563745 Li\n0.904568 0.323380 0.562765 Li\n0.664139 0.670888 0.880977 Li\n0.773852 0.313919 0.058822 Li\n0.314178 0.908472 0.056279 Li\n0.677797 0.227660 0.442361 Li\n0.324939 0.770154 0.563519 Li\n0.335930 0.333707 0.113806 Li\n0.093798 0.678125 0.441702 Li\n0.228332 0.092275 0.442004 Li\n0.092131 0.226114 0.936221 Li\n0.567806 0.432133 0.250961 V\n0.430498 0.565119 0.754555 V\n0.568387 0.002609 0.753380 V\n0.435810 0.998130 0.248809 V\n0.000094 0.570500 0.250751 V\n0.998891 0.434189 0.748110 V\n0.909505 0.771212 0.844241 P\n0.766519 0.914483 0.343654 P\n0.913356 0.319041 0.341367 P\n0.668972 0.666551 0.125543 P\n0.664681 0.667597 0.626487 P\n0.769860 0.319747 0.842627 P\n0.681097 0.232594 0.657993 P\n0.318906 0.909810 0.842031 P\n0.684019 0.087270 0.157857 P\n0.317022 0.768310 0.343588 P\n0.231030 0.681742 0.157364 P\n0.333057 0.332444 0.373602 P\n0.331816 0.331625 0.873300 P\n0.087188 0.682699 0.659134 P\n0.234207 0.086815 0.657874 P\n0.090461 0.229930 0.156075 P\n0.997022 0.757702 0.568552 O\n0.917493 0.750281 0.341478 O\n0.768773 0.993594 0.072169 O\n0.743177 0.916217 0.837981 O\n0.888689 0.625367 0.825118 O\n0.813927 0.673882 0.164405 O\n0.904852 0.478504 0.321221 O\n0.997721 0.245052 0.067080 O\n0.920009 0.336541 0.838484 O\n0.670099 0.814884 0.667608 O\n0.620010 0.900482 0.325305 O\n0.813904 0.512940 0.666379 O\n0.663672 0.671123 0.017292 O\n0.667038 0.665714 0.518891 O\n0.671803 0.516010 0.164759 O\n0.485143 0.889153 0.825947 O\n0.515490 0.817848 0.166813 O\n0.748594 0.335990 0.341815 O\n0.790024 0.211955 0.750298 O\n0.761480 0.242198 0.567552 O\n0.760617 0.246515 0.933890 O\n0.626441 0.487339 0.825520 O\n0.513249 0.670364 0.668490 O\n0.664220 0.255901 0.159803 O\n0.476507 0.617286 0.321644 O\n0.334675 0.915086 0.342393 O\n0.786161 0.007704 0.254137 O\n0.755410 0.001451 0.435196 O\n0.243110 0.996747 0.567817 O\n0.666869 0.083009 0.658515 O\n0.522943 0.382083 0.674168 O\n0.336443 0.746446 0.841021 O\n0.487587 0.325707 0.333859 O\n0.373672 0.514625 0.173313 O\n0.238990 0.768558 0.072522 O\n0.244419 0.752866 0.435401 O\n0.206819 0.785489 0.254225 O\n0.251637 0.663901 0.657976 O\n0.479657 0.185634 0.830102 O\n0.515983 0.111187 0.173136 O\n0.334841 0.479170 0.830196 O\n0.331970 0.330886 0.981014 O\n0.330735 0.329884 0.480916 O\n0.186450 0.486403 0.333410 O\n0.383920 0.094580 0.674872 O\n0.330131 0.183054 0.329958 O\n0.082131 0.662402 0.159387 O\n0.999786 0.789980 0.751217 O\n0.995626 0.758906 0.933760 O\n0.095449 0.522516 0.676834 O\n0.182563 0.330388 0.835461 O\n0.113573 0.372816 0.174059 O\n0.252815 0.079682 0.155637 O\n0.241914 0.004528 0.931180 O\n0.210612 0.000750 0.750395 O\n0.084641 0.251094 0.657649 O\n0.002173 0.243509 0.431898 O\n0.000691 0.210031 0.249019 O\n",
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{
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{
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"formula_reduced": "Li6V3P8O29",
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{
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{
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}