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"spacegroup": 15
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{
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"structure_string": "Ta2 B2 O8\n1.0\n-3.141149 3.141149 2.763385\n3.141149 -3.141149 2.763385\n3.141149 3.141149 -2.763385\nTa B O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Ta\n0.250000 0.750000 0.500000 Ta\n0.500000 0.500000 0.000000 B\n0.750000 0.250000 0.500000 B\n0.324213 0.146310 0.822097 O\n0.752116 0.074213 0.677903 O\n0.497884 0.675787 0.822097 O\n0.925787 0.603690 0.677903 O\n0.925787 0.247884 0.322097 O\n0.853690 0.675787 0.177903 O\n0.324213 0.502116 0.177903 O\n0.396310 0.074213 0.322097 O\n",
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{
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{
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"structure_string": "Ta8 Cu8 O32\n1.0\n8.998453 0.000000 0.000000\n0.000000 6.502003 0.000000\n0.000000 0.374066 11.730661\nTa Cu O\n8 8 32\ndirect\n0.576320 0.910797 0.873850 Ta\n0.923680 0.910797 0.373850 Ta\n0.895319 0.392194 0.143593 Ta\n0.076320 0.089203 0.626150 Ta\n0.104681 0.607806 0.856407 Ta\n0.395319 0.607806 0.356407 Ta\n0.604681 0.392194 0.643593 Ta\n0.423680 0.089203 0.126150 Ta\n0.886442 0.178242 0.889985 Cu\n0.956470 0.627379 0.610319 Cu\n0.043530 0.372621 0.389681 Cu\n0.113558 0.821758 0.110015 Cu\n0.613558 0.178242 0.389985 Cu\n0.543530 0.627379 0.110319 Cu\n0.386442 0.821758 0.610015 Cu\n0.456470 0.372621 0.889681 Cu\n0.714484 0.930901 0.371878 O\n0.014763 0.361431 0.587436 O\n0.345500 0.811889 0.457699 O\n0.845500 0.188111 0.042301 O\n0.785516 0.930901 0.871878 O\n0.285516 0.069099 0.628122 O\n0.924664 0.899381 0.566876 O\n0.070476 0.542352 0.115169 O\n0.429524 0.542352 0.615169 O\n0.116119 0.722176 0.701891 O\n0.616119 0.277824 0.798109 O\n0.929524 0.457648 0.884831 O\n0.075336 0.100619 0.433124 O\n0.484683 0.118117 0.275454 O\n0.751275 0.580662 0.625625 O\n0.748725 0.580662 0.125625 O\n0.984683 0.881883 0.224546 O\n0.570476 0.457648 0.384831 O\n0.515317 0.881883 0.724546 O\n0.654500 0.188111 0.542301 O\n0.485237 0.361431 0.087436 O\n0.883881 0.277824 0.298109 O\n0.214484 0.069099 0.128122 O\n0.575336 0.899381 0.066876 O\n0.154500 0.811889 0.957699 O\n0.251275 0.419338 0.874375 O\n0.985237 0.638569 0.412564 O\n0.514763 0.638569 0.912564 O\n0.424664 0.100619 0.933124 O\n0.248725 0.419338 0.374375 O\n0.383881 0.722176 0.201891 O\n0.015317 0.118117 0.775454 O\n",
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{
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"structure_string": "Ca8 S16 Cl16 O48\n1.0\n9.389647 0.000000 0.000000\n0.000000 10.446264 0.000000\n0.000000 0.000000 17.638126\nCa S Cl O\n8 16 16 48\ndirect\n0.639019 0.401947 0.371618 Ca\n0.860981 0.901947 0.628382 Ca\n0.639019 0.901947 0.128382 Ca\n0.139019 0.098053 0.371618 Ca\n0.360981 0.598053 0.628382 Ca\n0.139019 0.598053 0.128382 Ca\n0.860981 0.401947 0.871618 Ca\n0.360981 0.098053 0.871618 Ca\n0.031918 0.649603 0.746419 S\n0.221519 0.387210 0.969076 S\n0.968082 0.350397 0.253581 S\n0.468082 0.149603 0.253581 S\n0.278481 0.387210 0.469076 S\n0.221519 0.887210 0.530924 S\n0.968082 0.850397 0.246419 S\n0.468082 0.649603 0.246419 S\n0.031918 0.149603 0.753581 S\n0.778481 0.112790 0.469076 S\n0.721519 0.612790 0.530924 S\n0.278481 0.887210 0.030924 S\n0.531918 0.350397 0.753581 S\n0.531918 0.850397 0.746419 S\n0.721519 0.112790 0.969076 S\n0.778481 0.612790 0.030924 S\n0.858262 0.487766 0.583625 Cl\n0.380853 0.256979 0.167926 Cl\n0.358262 0.012234 0.583625 Cl\n0.619147 0.243021 0.667926 Cl\n0.880853 0.743021 0.332074 Cl\n0.619147 0.743021 0.832074 Cl\n0.119147 0.256979 0.667926 Cl\n0.119147 0.756979 0.832074 Cl\n0.880853 0.243021 0.167926 Cl\n0.141738 0.012234 0.083625 Cl\n0.641738 0.987766 0.416375 Cl\n0.858262 0.987766 0.916375 Cl\n0.141738 0.512234 0.416375 Cl\n0.358262 0.512234 0.916375 Cl\n0.641738 0.487766 0.083625 Cl\n0.380853 0.756979 0.332074 Cl\n0.785331 0.238867 0.958674 O\n0.562256 0.237446 0.293392 O\n0.956760 0.546734 0.784941 O\n0.280013 0.429843 0.548005 O\n0.085621 0.903761 0.569514 O\n0.719987 0.570157 0.451995 O\n0.543240 0.046734 0.215059 O\n0.914379 0.596239 0.069514 O\n0.085621 0.403761 0.930486 O\n0.847824 0.394221 0.298920 O\n0.285331 0.761133 0.541326 O\n0.543240 0.546734 0.284941 O\n0.780013 0.570157 0.951995 O\n0.414379 0.403761 0.430486 O\n0.956760 0.046734 0.715059 O\n0.562256 0.737446 0.206608 O\n0.585621 0.096239 0.930486 O\n0.152176 0.605779 0.701080 O\n0.043240 0.453266 0.215059 O\n0.714669 0.738867 0.041326 O\n0.152176 0.105779 0.798920 O\n0.285331 0.261133 0.958674 O\n0.347824 0.605779 0.201080 O\n0.785331 0.738867 0.541326 O\n0.914379 0.096239 0.430486 O\n0.437744 0.762554 0.706608 O\n0.062256 0.262554 0.293392 O\n0.414379 0.903761 0.069514 O\n0.219987 0.929843 0.451995 O\n0.437744 0.262554 0.793392 O\n0.219987 0.429843 0.048005 O\n0.585621 0.596239 0.569514 O\n0.714669 0.238867 0.458674 O\n0.280013 0.929843 0.951995 O\n0.456760 0.953266 0.784941 O\n0.214669 0.261133 0.458674 O\n0.652176 0.394221 0.798920 O\n0.062256 0.762554 0.206608 O\n0.043240 0.953266 0.284941 O\n0.719987 0.070157 0.048005 O\n0.214669 0.761133 0.041326 O\n0.652176 0.894221 0.701080 O\n0.937744 0.237446 0.793392 O\n0.937744 0.737446 0.706608 O\n0.847824 0.894221 0.201080 O\n0.456760 0.453266 0.715059 O\n0.780013 0.070157 0.548005 O\n0.347824 0.105779 0.298920 O\n",
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{
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