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"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.410911 -0.000003 -0.000002\n-1.705459 2.953919 0.000035\n-0.000015 0.000479 39.540427\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333321 0.666640 0.330207 Te\n0.666669 0.333337 0.045748 Te\n0.666658 0.333313 0.140217 Te\n0.333337 0.666675 0.234985 Te\n0.333327 0.666654 0.092869 Mo\n0.333327 0.666647 0.469979 W\n0.666661 0.333325 0.282550 W\n0.666676 0.333368 0.657456 W\n0.666662 0.333334 0.428189 Se\n0.666659 0.333314 0.511744 Se\n0.333346 0.666692 0.695388 S\n0.333353 0.666706 0.619415 S\n",
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"structure_string": "Te2 Mo3 W1 Se2 S4\n1.0\n3.327577 0.000000 0.000000\n-1.663788 2.881575 -0.000043\n0.000000 -0.000569 37.051901\nTe Mo W Se S\n2 3 1 2 4\ndirect\n0.333356 0.666712 0.708637 Te\n0.333358 0.666718 0.606027 Te\n0.333342 0.666685 0.093930 Mo\n0.666684 0.333366 0.281760 Mo\n0.666684 0.333365 0.657649 Mo\n0.333318 0.666635 0.469619 W\n0.333361 0.666723 0.326797 Se\n0.333368 0.666736 0.236832 Se\n0.666628 0.333255 0.053142 S\n0.666645 0.333288 0.428156 S\n0.666627 0.333253 0.135209 S\n0.666636 0.333269 0.510993 S\n",
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"structure_string": "Na3 Mg1 P2 H1 O8\n1.0\n4.640182 0.000239 -2.395549\n-0.159184 6.833922 -0.186110\n0.022154 -0.001581 5.174204\nNa Mg P H O\n3 1 2 1 8\ndirect\n0.295007 0.785545 0.661641 Na\n0.704992 0.214455 0.338358 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.000000 0.000000 Mg\n0.355243 0.242700 0.660455 P\n0.644757 0.757300 0.339543 P\n0.500000 0.500000 -0.000000 H\n0.217454 0.097851 0.784073 O\n0.782546 0.902149 0.215926 O\n0.683143 0.211565 0.787427 O\n0.316856 0.788435 0.212571 O\n0.313081 0.456541 0.758365 O\n0.686919 0.543459 0.241634 O\n0.791309 0.772090 0.674316 O\n0.208691 0.227910 0.325683 O\n",
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"structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n0.000000 4.842603 0.002245\n7.642604 0.000000 0.000000\n0.000000 -0.033624 -9.706613\nCa Si B H O\n4 4 4 4 20\ndirect\n0.991983 0.393728 0.836445 Ca\n0.008018 0.893728 0.663556 Ca\n0.008018 0.606271 0.163556 Ca\n0.991982 0.106272 0.336445 Ca\n0.529259 0.732419 0.915938 Si\n0.470742 0.232420 0.584062 Si\n0.470741 0.267580 0.084062 Si\n0.529258 0.767580 0.415938 Si\n0.428421 0.911368 0.159027 B\n0.571579 0.411368 0.340973 B\n0.571579 0.088632 0.840973 B\n0.428421 0.588631 0.659027 B\n0.810016 0.535134 0.577367 H\n0.189984 0.035134 0.922633 H\n0.810016 0.964865 0.077367 H\n0.189984 0.464865 0.422633 H\n0.678306 0.335265 0.211203 O\n0.261005 0.413739 0.336686 O\n0.738995 0.913739 0.163314 O\n0.687372 0.588990 0.354290 O\n0.312628 0.088990 0.145711 O\n0.312629 0.411009 0.645711 O\n0.687372 0.911009 0.854289 O\n0.321693 0.835265 0.288798 O\n0.678307 0.164734 0.711203 O\n0.241715 0.095461 0.535979 O\n0.325916 0.697576 0.542363 O\n0.674084 0.197576 0.957637 O\n0.674084 0.302423 0.457637 O\n0.325916 0.802423 0.042364 O\n0.758286 0.904538 0.464022 O\n0.241714 0.404538 0.035979 O\n0.261005 0.086261 0.836686 O\n0.758286 0.595461 0.964022 O\n0.321694 0.664734 0.788797 O\n0.738995 0.586260 0.663314 O\n",
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{
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"structure_string": "Sr4 Ca1 Mn2 S2 O6\n1.0\n3.880405 -0.000000 -0.000000\n0.000000 3.880405 -0.000000\n-0.000000 -0.000000 16.845178\nSr Ca Mn S O\n4 1 2 2 6\ndirect\n0.000000 0.499999 0.796788 Sr\n0.499999 0.000000 0.203212 Sr\n0.000000 0.499999 0.581134 Sr\n0.499999 0.000000 0.418867 Sr\n0.499999 0.499999 0.000000 Ca\n0.499999 0.000000 0.682274 Mn\n0.000000 0.499999 0.317726 Mn\n0.499999 0.000000 0.888341 S\n0.000000 0.499999 0.111659 S\n0.000000 0.000000 0.698446 O\n0.499999 0.499999 0.698625 O\n0.499999 0.499999 0.301375 O\n0.000000 0.000000 0.301554 O\n0.499999 0.000000 0.565313 O\n0.000000 0.499999 0.434687 O\n",
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