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{
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{
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{
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{
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"structure_string": "Ca8 Al11 Fe1 Si12 O52\n1.0\n5.669402 0.000000 0.000000\n0.000000 8.936672 0.000000\n0.000000 0.216076 18.626104\nCa Al Fe Si O\n8 11 1 12 52\ndirect\n0.500000 0.886711 0.289259 Ca\n0.500000 0.387801 0.790541 Ca\n0.000000 0.613252 0.210167 Ca\n0.000000 0.110909 0.710352 Ca\n0.500000 0.186411 0.424465 Ca\n0.500000 0.687059 0.924018 Ca\n0.000000 0.313319 0.076107 Ca\n0.000000 0.810512 0.578072 Ca\n0.750004 0.000111 0.999984 Al\n0.749432 0.496906 0.501006 Al\n0.249996 0.000111 0.999984 Al\n0.250568 0.496906 0.501006 Al\n0.749196 0.251194 0.249267 Al\n0.750028 0.750331 0.750538 Al\n0.250804 0.251194 0.249267 Al\n0.249972 0.750331 0.750538 Al\n0.000000 0.171018 0.883933 Al\n0.500000 0.829497 0.116017 Al\n0.500000 0.327842 0.617026 Al\n0.000000 0.675564 0.386752 Fe\n0.500000 0.814353 0.476785 Si\n0.500000 0.314507 0.976188 Si\n0.000000 0.685669 0.023526 Si\n0.000000 0.183349 0.524069 Si\n0.500000 0.524931 0.340493 Si\n0.500000 0.026531 0.842002 Si\n0.000000 0.973732 0.158086 Si\n0.000000 0.472972 0.659030 Si\n0.000000 0.048182 0.363583 Si\n0.000000 0.540180 0.864510 Si\n0.500000 0.460069 0.134937 Si\n0.500000 0.959265 0.635786 Si\n0.000000 0.873209 0.345570 O\n0.000000 0.363181 0.852501 O\n0.500000 0.637317 0.146593 O\n0.500000 0.135930 0.648463 O\n0.000000 0.486916 0.438113 O\n0.000000 0.996855 0.935772 O\n0.500000 0.003423 0.063987 O\n0.500000 0.501371 0.564547 O\n0.743549 0.711609 0.480859 O\n0.744407 0.213185 0.979186 O\n0.244115 0.787073 0.020188 O\n0.245196 0.284252 0.521738 O\n0.755885 0.787073 0.020188 O\n0.754804 0.284252 0.521738 O\n0.256451 0.711609 0.480859 O\n0.255593 0.213185 0.979186 O\n0.764049 0.129718 0.330785 O\n0.765263 0.621650 0.829693 O\n0.265680 0.378186 0.169547 O\n0.265973 0.877257 0.670571 O\n0.734320 0.378186 0.169547 O\n0.734027 0.877257 0.670571 O\n0.235951 0.129718 0.330785 O\n0.234737 0.621650 0.829693 O\n0.500000 0.366108 0.296739 O\n0.500000 0.866000 0.798440 O\n0.000000 0.133495 0.202151 O\n0.000000 0.634216 0.702019 O\n0.500000 0.927316 0.409944 O\n0.500000 0.429640 0.910122 O\n0.000000 0.570747 0.089580 O\n0.000000 0.068025 0.590106 O\n0.500000 0.469699 0.427094 O\n0.500000 0.969560 0.927866 O\n0.000000 0.030917 0.072087 O\n0.000000 0.529131 0.572985 O\n0.000000 0.080141 0.450301 O\n0.000000 0.581878 0.950108 O\n0.500000 0.418562 0.049355 O\n0.500000 0.918796 0.549820 O\n0.000000 0.369434 0.277743 O\n0.000000 0.868526 0.779315 O\n0.500000 0.130581 0.221370 O\n0.500000 0.632234 0.721185 O\n0.729177 0.630690 0.320200 O\n0.734468 0.130262 0.823805 O\n0.234650 0.869806 0.175754 O\n0.234650 0.369347 0.677089 O\n0.765350 0.869806 0.175754 O\n0.765350 0.369347 0.677089 O\n0.270823 0.630690 0.320200 O\n0.265532 0.130262 0.823805 O\n",
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"formula_full": "Ca8 Al11 Fe1 Si12 O52",
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{
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{
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{
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