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{
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"formula_full": "Ba32 Ge8 As32",
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{
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"structure_string": "Mo4 N4 O14\n1.0\n-7.259058 0.000000 0.000000\n1.924350 7.365016 0.000000\n-0.270162 -1.417412 -8.009116\nMo N O\n4 4 14\ndirect\n0.222246 0.077325 0.661010 Mo\n0.777754 0.922675 0.338990 Mo\n0.268331 0.303402 0.075784 Mo\n0.731669 0.696598 0.924216 Mo\n0.776738 0.474566 0.405456 N\n0.223262 0.525434 0.594544 N\n0.740908 0.064977 0.839464 N\n0.259092 0.935023 0.160536 N\n0.176455 0.252128 0.848533 O\n0.823545 0.747872 0.151467 O\n0.297311 0.922926 0.756154 O\n0.702689 0.077074 0.243846 O\n0.413754 0.184309 0.555712 O\n0.586246 0.815691 0.444288 O\n0.173100 0.464513 0.199561 O\n0.826900 0.535487 0.800439 O\n0.821766 0.935892 0.837981 O\n0.178234 0.064108 0.162019 O\n0.972203 0.091755 0.505460 O\n0.027797 0.908245 0.494540 O\n0.512881 0.364700 0.090534 O\n0.487119 0.635300 0.909466 O\n",
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{
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"structure_string": "Co2 Sb2 Te2\n1.0\n0.000000 0.000000 3.821160\n5.316609 -0.057471 0.000000\n-0.069065 6.259918 0.000000\nCo Sb Te\n2 2 2\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.718665 0.137809 Sb\n0.500000 0.281335 0.862191 Sb\n0.000000 0.225417 0.356897 Te\n0.000000 0.774583 0.643103 Te\n",
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{
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"structure_string": "Nd1 Sm1 Mg2\n1.0\n0.000000 3.867099 3.867099\n3.867099 0.000000 3.867099\n3.867099 3.867099 0.000000\nNd Sm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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{
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"structure_string": "Na12 As4 H72 Se16 O36\n1.0\n12.224363 0.000000 0.000000\n0.000000 12.224363 0.000000\n0.000000 0.000000 12.224363\nNa As H Se O\n12 4 72 16 36\ndirect\n0.399807 0.100193 0.899807 Na\n0.100193 0.899807 0.399807 Na\n0.899807 0.399807 0.100193 Na\n0.600193 0.600193 0.600193 Na\n0.550612 0.949388 0.050612 Na\n0.949388 0.050612 0.550612 Na\n0.050612 0.550612 0.949388 Na\n0.291774 0.291774 0.291774 Na\n0.449388 0.449388 0.449388 Na\n0.791774 0.208226 0.708226 Na\n0.208226 0.708226 0.791774 Na\n0.708226 0.791774 0.208226 Na\n0.460723 0.960723 0.539277 As\n0.539277 0.460723 0.960723 As\n0.960723 0.539277 0.460723 As\n0.039277 0.039277 0.039277 As\n0.435784 0.693241 0.877693 H\n0.935784 0.806759 0.122307 H\n0.564216 0.193241 0.622307 H\n0.806759 0.122307 0.935784 H\n0.622307 0.564216 0.193241 H\n0.122307 0.935784 0.806759 H\n0.693241 0.877693 0.435784 H\n0.877693 0.435784 0.693241 H\n0.193241 0.622307 0.564216 H\n0.306759 0.377693 0.064216 H\n0.377693 0.064216 0.306759 H\n0.064216 0.306759 0.377693 H\n0.448741 0.773275 0.777509 H\n0.948741 0.726725 0.222491 H\n0.551259 0.273275 0.722491 H\n0.726725 0.222491 0.948741 H\n0.722491 0.551259 0.273275 H\n0.222491 0.948741 0.726725 H\n0.773275 0.777509 0.448741 H\n0.777509 0.448741 0.773275 H\n0.273275 0.722491 0.551259 H\n0.226725 0.277509 0.051259 H\n0.277509 0.051259 0.226725 H\n0.051259 0.226725 0.277509 H\n0.328779 0.240261 0.535968 H\n0.828779 0.259739 0.464032 H\n0.671221 0.740261 0.964032 H\n0.259739 0.464032 0.828779 H\n0.964032 0.671221 0.740261 H\n0.464032 0.828779 0.259739 H\n0.240261 0.535968 0.328779 H\n0.535968 0.328779 0.240261 H\n0.740261 0.964032 0.671221 H\n0.759739 0.035968 0.171221 H\n0.194562 0.082625 0.516756 H\n0.035968 0.171221 0.759739 H\n0.248393 0.339426 0.516999 H\n0.748393 0.160574 0.483001 H\n0.751607 0.839426 0.983001 H\n0.160574 0.483001 0.748393 H\n0.983001 0.751607 0.839426 H\n0.483001 0.748393 0.160574 H\n0.339426 0.516999 0.248393 H\n0.516999 0.248393 0.339426 H\n0.839426 0.983001 0.751607 H\n0.660574 0.016999 0.251607 H\n0.016999 0.251607 0.660574 H\n0.251607 0.660574 0.016999 H\n0.578100 0.627772 0.358016 H\n0.078100 0.872228 0.641984 H\n0.421900 0.127772 0.141984 H\n0.872228 0.641984 0.078100 H\n0.141984 0.421900 0.127772 H\n0.641984 0.078100 0.872228 H\n0.627772 0.358016 0.578100 H\n0.358016 0.578100 0.627772 H\n0.127772 0.141984 0.421900 H\n0.372228 0.858016 0.921900 H\n0.858016 0.921900 0.372228 H\n0.921900 0.372228 0.858016 H\n0.483244 0.694562 0.417375 H\n0.983244 0.805438 0.582625 H\n0.516756 0.194562 0.082625 H\n0.805438 0.582625 0.983244 H\n0.082625 0.516756 0.194562 H\n0.582625 0.983244 0.805438 H\n0.694562 0.417375 0.483244 H\n0.417375 0.483244 0.694562 H\n0.016756 0.305438 0.917375 H\n0.917375 0.016756 0.305438 H\n0.305438 0.917375 0.016756 H\n0.171221 0.759739 0.035968 H\n0.653200 0.574818 0.854630 Se\n0.574818 0.854630 0.653200 Se\n0.846800 0.425182 0.354630 Se\n0.425182 0.354630 0.846800 Se\n0.346800 0.074818 0.645370 Se\n0.153200 0.925182 0.145370 Se\n0.925182 0.145370 0.153200 Se\n0.145370 0.153200 0.925182 Se\n0.072248 0.427752 0.572248 Se\n0.427752 0.572248 0.072248 Se\n0.572248 0.072248 0.427752 Se\n0.927752 0.927752 0.927752 Se\n0.645370 0.346800 0.074818 Se\n0.854630 0.653200 0.574818 Se\n0.354630 0.846800 0.425182 Se\n0.074818 0.645370 0.346800 Se\n0.395965 0.747425 0.833718 O\n0.895965 0.752575 0.166282 O\n0.604035 0.247425 0.666282 O\n0.752575 0.166282 0.895965 O\n0.666282 0.604035 0.247425 O\n0.166282 0.895965 0.752575 O\n0.747425 0.833718 0.395965 O\n0.833718 0.395965 0.747425 O\n0.247425 0.666282 0.604035 O\n0.252575 0.333718 0.104035 O\n0.333718 0.104035 0.252575 O\n0.104035 0.252575 0.333718 O\n0.316510 0.305769 0.490040 O\n0.816510 0.194231 0.509960 O\n0.683490 0.805769 0.009960 O\n0.194231 0.509960 0.816510 O\n0.009960 0.683490 0.805769 O\n0.509960 0.816510 0.194231 O\n0.305769 0.490040 0.316510 O\n0.490040 0.316510 0.305769 O\n0.805769 0.009960 0.683490 O\n0.694231 0.990040 0.183490 O\n0.990040 0.183490 0.694231 O\n0.183490 0.694231 0.990040 O\n0.529215 0.628466 0.423004 O\n0.029215 0.871534 0.576996 O\n0.470785 0.128466 0.076996 O\n0.871534 0.576996 0.029215 O\n0.076996 0.470785 0.128466 O\n0.576996 0.029215 0.871534 O\n0.628466 0.423004 0.529215 O\n0.423004 0.529215 0.628466 O\n0.128466 0.076996 0.470785 O\n0.371534 0.923004 0.970785 O\n0.923004 0.970785 0.371534 O\n0.970785 0.371534 0.923004 O\n",
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{
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"structure_string": "Mg8 Si4\n1.0\n5.514389 0.000000 0.000000\n-1.549632 6.896958 0.000000\n-2.521413 -2.150399 6.257836\nMg Si\n8 4\ndirect\n0.285377 0.763969 0.079233 Mg\n0.274642 0.194289 0.432400 Mg\n0.788431 0.334140 0.928533 Mg\n0.313738 0.922477 0.724651 Mg\n0.341000 0.321055 0.048698 Mg\n0.909109 0.480074 0.575528 Mg\n0.753449 0.998602 0.567334 Mg\n0.858263 0.720865 0.256395 Mg\n0.708977 0.125310 0.218082 Si\n0.875749 0.949633 0.971466 Si\n0.373599 0.588731 0.405221 Si\n0.517556 0.600855 0.791986 Si\n",
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{
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