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{
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{
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"structure_string": "Ba3 Cu6 Sn3 S12\n1.0\n3.218250 -5.574173 0.000000\n3.218250 5.574173 0.000000\n0.000000 0.000000 15.830995\nBa Cu Sn S\n3 6 3 12\ndirect\n0.426402 0.426402 0.500000 Ba\n0.000000 0.573598 0.166667 Ba\n0.573598 0.000000 0.833333 Ba\n0.369782 0.433840 0.745199 Cu\n0.935942 0.566160 0.921468 Cu\n0.433840 0.369782 0.254801 Cu\n0.064058 0.630218 0.411865 Cu\n0.566160 0.935942 0.078532 Cu\n0.630218 0.064058 0.588135 Cu\n0.704992 0.000000 0.333333 Sn\n0.000000 0.704992 0.666667 Sn\n0.295008 0.295008 0.000000 Sn\n0.765195 0.651910 0.335819 S\n0.886715 0.234805 0.002486 S\n0.348090 0.113285 0.669153 S\n0.113285 0.348090 0.330847 S\n0.234805 0.886715 0.997514 S\n0.651910 0.765195 0.664181 S\n0.939587 0.440447 0.546410 S\n0.500860 0.060413 0.213077 S\n0.060413 0.500860 0.786923 S\n0.440447 0.939587 0.453590 S\n0.499140 0.559553 0.120257 S\n0.559553 0.499140 0.879743 S\n",
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{
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"structure_string": "Yb4 P8 H16 N4 O28\n1.0\n11.284754 0.000000 0.000000\n0.000000 7.715600 0.000000\n0.000000 2.272330 8.491759\nYb P H N O\n4 8 16 4 28\ndirect\n0.102088 0.267767 0.751618 Yb\n0.602088 0.732233 0.748382 Yb\n0.897912 0.732233 0.248382 Yb\n0.397912 0.267767 0.251618 Yb\n0.403113 0.367219 0.811414 P\n0.903113 0.632781 0.688586 P\n0.596887 0.632781 0.188586 P\n0.096887 0.367219 0.311414 P\n0.361891 0.058170 0.687160 P\n0.861891 0.941830 0.812840 P\n0.638109 0.941830 0.312840 P\n0.138109 0.058170 0.187160 P\n0.366256 0.732757 0.537951 H\n0.866256 0.267243 0.962049 H\n0.633744 0.267243 0.462049 H\n0.133744 0.732757 0.037951 H\n0.389697 0.626515 0.394133 H\n0.889697 0.373485 0.105867 H\n0.610303 0.373485 0.605867 H\n0.110303 0.626515 0.894133 H\n0.298538 0.810088 0.361848 H\n0.798538 0.189912 0.138152 H\n0.701462 0.189912 0.638152 H\n0.201462 0.810088 0.861848 H\n0.258037 0.610459 0.488399 H\n0.758037 0.389541 0.011601 H\n0.741963 0.389541 0.511602 H\n0.241963 0.610459 0.988398 H\n0.327311 0.694993 0.445057 N\n0.827311 0.305007 0.054943 N\n0.672689 0.305007 0.554943 N\n0.172689 0.694993 0.945057 N\n0.279113 0.422316 0.745871 O\n0.779113 0.577684 0.754129 O\n0.720887 0.577684 0.254129 O\n0.220887 0.422316 0.245871 O\n0.408919 0.369643 0.984152 O\n0.908919 0.630357 0.515848 O\n0.591081 0.630357 0.015848 O\n0.091081 0.369643 0.484152 O\n0.426638 0.160501 0.805861 O\n0.926638 0.839499 0.694139 O\n0.573362 0.839499 0.194139 O\n0.073362 0.160501 0.305861 O\n0.502441 0.478448 0.714280 O\n0.002441 0.521552 0.785720 O\n0.497559 0.521552 0.285720 O\n0.997559 0.478448 0.214280 O\n0.230980 0.037114 0.733381 O\n0.730980 0.962886 0.766619 O\n0.769020 0.962886 0.266619 O\n0.269020 0.037114 0.233381 O\n0.382258 0.171367 0.519304 O\n0.882258 0.828633 0.980696 O\n0.617742 0.828633 0.480696 O\n0.117742 0.171367 0.019304 O\n0.424092 0.876633 0.716929 O\n0.924092 0.123367 0.783071 O\n0.575908 0.123367 0.283071 O\n0.075908 0.876633 0.216929 O\n",
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{
"id": "mp-770832",
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"structure_string": "Li8 B4 Se4 O16\n1.0\n5.056300 0.000000 0.000000\n0.000000 7.441051 0.000000\n0.000000 0.275154 10.833143\nLi B Se O\n8 4 4 16\ndirect\n0.656031 0.894435 0.783322 Li\n0.843969 0.894435 0.283322 Li\n0.831171 0.819218 0.551527 Li\n0.668829 0.819218 0.051527 Li\n0.331171 0.180782 0.948473 Li\n0.168829 0.180782 0.448473 Li\n0.156031 0.105565 0.716678 Li\n0.343969 0.105565 0.216678 Li\n0.159020 0.843998 0.918134 B\n0.340980 0.843998 0.418134 B\n0.659020 0.156002 0.581866 B\n0.840980 0.156002 0.081866 B\n0.870886 0.448132 0.902778 Se\n0.370886 0.551868 0.597222 Se\n0.629114 0.448132 0.402778 Se\n0.129114 0.551868 0.097222 Se\n0.316980 0.960878 0.856210 O\n0.183020 0.960878 0.356210 O\n0.897834 0.811269 0.907854 O\n0.602166 0.811269 0.407854 O\n0.197548 0.732157 0.513381 O\n0.626688 0.650455 0.669447 O\n0.302452 0.732157 0.013381 O\n0.873312 0.650455 0.169447 O\n0.126688 0.349545 0.830553 O\n0.697548 0.267843 0.986619 O\n0.373312 0.349545 0.330553 O\n0.802452 0.267843 0.486619 O\n0.397834 0.188731 0.592146 O\n0.102166 0.188731 0.092146 O\n0.816980 0.039122 0.643790 O\n0.683020 0.039122 0.143790 O\n",
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{
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{
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{
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"structure_string": "Li24 Mn11 Cr1 O36\n1.0\n4.323129 7.506183 0.000000\n-4.323129 7.506183 0.000000\n0.000000 1.621055 9.588936\nLi Mn Cr O\n24 11 1 36\ndirect\n0.835560 0.003818 0.250613 Li\n0.751316 0.248684 0.000000 Li\n0.669408 0.162562 0.748820 Li\n0.585121 0.082871 0.498772 Li\n0.510484 0.324449 0.249236 Li\n0.497319 0.004054 0.250298 Li\n0.339554 0.164923 0.750502 Li\n0.327738 0.502826 0.753780 Li\n0.251432 0.748568 0.500000 Li\n0.162362 0.342924 0.249859 Li\n0.171963 0.665292 0.251168 Li\n0.085061 0.585269 0.998656 Li\n0.008918 0.831439 0.748159 Li\n0.995946 0.502681 0.749702 Li\n0.996182 0.164440 0.749387 Li\n0.917129 0.414879 0.501228 Li\n0.835077 0.660446 0.249498 Li\n0.837438 0.330592 0.251180 Li\n0.675551 0.489516 0.750764 Li\n0.657076 0.837638 0.750141 Li\n0.497174 0.672262 0.246220 Li\n0.414731 0.914939 0.001344 Li\n0.334708 0.828037 0.748832 Li\n0.168561 0.991082 0.251841 Li\n0.918605 0.081395 0.500000 Mn\n0.418105 0.581895 0.000000 Mn\n0.418199 0.250576 0.000450 Mn\n0.250044 0.415893 0.502185 Mn\n0.250362 0.083944 0.500935 Mn\n0.083734 0.916266 0.000000 Mn\n0.084799 0.250759 0.001243 Mn\n0.916056 0.749638 0.499065 Mn\n0.749241 0.915201 0.998757 Mn\n0.749424 0.581801 0.999550 Mn\n0.584107 0.749956 0.497815 Mn\n0.581043 0.418957 0.500000 Cr\n0.883850 0.023727 0.887802 O\n0.718590 0.213550 0.386087 O\n0.620241 0.118150 0.113878 O\n0.550280 0.047674 0.886432 O\n0.526502 0.381355 0.888481 O\n0.450142 0.309303 0.614340 O\n0.311362 0.452149 0.113077 O\n0.383601 0.521034 0.388591 O\n0.286647 0.143697 0.112767 O\n0.358588 0.214594 0.389101 O\n0.217922 0.715403 0.886385 O\n0.215608 0.359230 0.889050 O\n0.192059 0.049484 0.888616 O\n0.141608 0.286033 0.613308 O\n0.119342 0.619216 0.615287 O\n0.976273 0.116150 0.112198 O\n0.049428 0.547979 0.387196 O\n0.049264 0.190007 0.388550 O\n0.950516 0.807941 0.111384 O\n0.952326 0.449720 0.113568 O\n0.028468 0.878734 0.389153 O\n0.881850 0.379759 0.886122 O\n0.856303 0.713353 0.887233 O\n0.809993 0.950736 0.611450 O\n0.785406 0.641412 0.610899 O\n0.786450 0.281410 0.613913 O\n0.640770 0.784392 0.110950 O\n0.713967 0.858392 0.386692 O\n0.618645 0.473498 0.111519 O\n0.690697 0.549858 0.385660 O\n0.547851 0.688638 0.886923 O\n0.478966 0.616399 0.611409 O\n0.452021 0.950572 0.612804 O\n0.380784 0.880658 0.384713 O\n0.284597 0.782078 0.113615 O\n0.121266 0.971532 0.610847 O\n",
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}