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"structure_string": "Ca4 Sn4 S12\n1.0\n3.840493 -0.000000 0.000000\n-0.000000 8.175583 0.000000\n0.000000 0.000000 13.814896\nCa Sn S\n4 4 12\ndirect\n0.749999 0.425853 0.681134 Ca\n0.749999 0.925853 0.818867 Ca\n0.250000 0.574147 0.318867 Ca\n0.250000 0.074147 0.181133 Ca\n0.749999 0.177942 0.441560 Sn\n0.749999 0.677942 0.058440 Sn\n0.250000 0.822058 0.558441 Sn\n0.250000 0.322058 0.941560 Sn\n0.749999 0.806585 0.220978 S\n0.749999 0.306586 0.279023 S\n0.250000 0.357682 0.508935 S\n0.250000 0.857681 0.991065 S\n0.749999 0.642318 0.491065 S\n0.749999 0.522816 0.889735 S\n0.250000 0.477184 0.110265 S\n0.250000 0.977184 0.389735 S\n0.250000 0.693414 0.720978 S\n0.749999 0.022816 0.610265 S\n0.749999 0.142318 0.008935 S\n0.250000 0.193414 0.779023 S\n",
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{
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"structure_string": "Y8 C12\n1.0\n6.731179 0.000000 -2.379831\n-3.365590 5.829372 -2.379831\n-0.000000 -0.000000 7.139494\nY C\n8 12\ndirect\n0.101398 0.101398 0.101398 Y\n-0.000000 0.898602 0.500000 Y\n0.500000 0.000000 0.898602 Y\n-0.000000 0.398602 0.500000 Y\n0.500000 -0.000000 0.398602 Y\n0.398602 0.500000 0.000000 Y\n0.601398 0.601397 0.601397 Y\n0.898602 0.500000 0.000000 Y\n0.794252 0.044252 0.750000 C\n0.044252 0.750000 0.794251 C\n0.750000 0.794252 0.044252 C\n0.705748 0.455748 0.250000 C\n0.250000 0.705748 0.455748 C\n0.955748 0.205748 0.750000 C\n0.205748 0.750000 0.955748 C\n0.544252 0.294252 0.250000 C\n0.294252 0.250000 0.544252 C\n0.750000 0.955748 0.205748 C\n0.250000 0.544252 0.294252 C\n0.455748 0.250000 0.705748 C\n",
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"structure_string": "Ni4 Sn4 O12\n1.0\n5.111459 -0.000088 1.421503\n-2.753265 4.535031 -0.000131\n0.029780 0.018319 9.794903\nNi Sn O\n4 4 12\ndirect\n0.647287 0.323644 0.029093 Ni\n0.352714 0.676356 0.970905 Ni\n0.647288 0.823644 0.529093 Ni\n0.352713 0.176356 0.470907 Ni\n0.855714 0.927854 0.216429 Sn\n0.855714 0.427854 0.716429 Sn\n0.144288 0.572146 0.283570 Sn\n0.144287 0.072146 0.783570 Sn\n0.451317 0.877171 0.375507 O\n0.451316 0.377171 0.875507 O\n0.252687 0.925857 0.124493 O\n0.252687 0.425857 0.624493 O\n0.747314 0.574142 0.375506 O\n0.949655 0.326831 0.124495 O\n0.548685 0.622828 0.124492 O\n0.548684 0.122829 0.624492 O\n0.050346 0.673169 0.875504 O\n0.949656 0.826832 0.624495 O\n0.747314 0.074143 0.875507 O\n0.050345 0.173168 0.375504 O\n",
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{
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"structure_string": "Ca4 Sb4 O12\n1.0\n0.000000 5.683974 0.002800\n8.083181 0.000000 0.000000\n0.000000 -0.028697 -5.920034\nCa Sb O\n4 4 12\ndirect\n0.486377 0.250000 0.560216 Ca\n0.513621 0.750000 0.439784 Ca\n0.009716 0.250000 0.054369 Ca\n0.990282 0.750000 0.945630 Ca\n0.500000 0.500000 -0.000000 Sb\n0.500000 0.000000 -0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n-0.000000 0.000000 0.500000 Sb\n0.291271 0.440643 0.324116 O\n0.627488 0.250000 0.938218 O\n0.708728 0.940643 0.675883 O\n0.117347 0.750000 0.552341 O\n0.170762 0.058641 0.788799 O\n0.829237 0.941359 0.211200 O\n0.170762 0.441359 0.788799 O\n0.291271 0.059357 0.324116 O\n0.882651 0.250000 0.447658 O\n0.708728 0.559357 0.675883 O\n0.829237 0.558641 0.211200 O\n0.372511 0.750000 0.061781 O\n",
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{
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"structure_string": "Na1 Li3 V4 O12\n1.0\n6.499923 0.061950 1.773873\n0.547235 6.477142 1.773873\n0.019981 0.018541 5.862891\nNa Li V O\n1 3 4 12\ndirect\n0.713444 0.286556 -0.000000 Na\n0.921292 0.078707 0.500000 Li\n0.088809 0.911190 -0.000000 Li\n0.272270 0.727729 0.500000 Li\n0.806725 0.618355 0.503387 V\n0.381644 0.193274 0.496613 V\n0.191346 0.379768 0.996589 V\n0.620231 0.808653 0.003410 V\n0.224970 0.000771 0.590448 O\n0.999228 0.775029 0.409551 O\n0.656420 0.635172 0.803543 O\n0.364827 0.343579 0.196456 O\n0.333377 0.377566 0.687994 O\n0.625829 0.093358 0.456795 O\n0.384170 0.930545 0.025284 O\n0.069454 0.615829 0.974716 O\n0.019838 0.202960 0.104232 O\n0.906641 0.374170 0.543204 O\n0.622433 0.666622 0.312005 O\n0.797038 0.980161 0.895767 O\n",
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