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{
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{
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{
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"structure_string": "Ca12 Sn4 S20\n1.0\n8.618718 0.000000 0.000000\n0.000000 8.712175 0.000000\n0.000000 0.000000 12.181895\nCa Sn S\n12 4 20\ndirect\n0.511218 0.109959 0.202936 Ca\n0.988782 0.390041 0.702936 Ca\n0.011218 0.890041 0.797064 Ca\n0.488782 0.609959 0.297064 Ca\n0.488782 0.890041 0.797064 Ca\n0.011218 0.609959 0.297064 Ca\n0.988782 0.109959 0.202936 Ca\n0.511218 0.390041 0.702936 Ca\n0.250000 0.110079 0.509340 Ca\n0.250000 0.389921 0.009340 Ca\n0.750000 0.889921 0.490660 Ca\n0.750000 0.610079 0.990660 Ca\n0.250000 0.817854 0.092525 Sn\n0.250000 0.682146 0.592525 Sn\n0.750000 0.182146 0.907475 Sn\n0.750000 0.317854 0.407475 Sn\n0.955464 0.139981 0.428041 S\n0.544536 0.360019 0.928041 S\n0.455464 0.860019 0.571959 S\n0.044536 0.639981 0.071959 S\n0.044536 0.860019 0.571959 S\n0.455464 0.639981 0.071959 S\n0.544536 0.139981 0.428041 S\n0.955464 0.360019 0.928041 S\n0.250000 0.021998 0.962048 S\n0.250000 0.478002 0.462048 S\n0.750000 0.978002 0.037952 S\n0.750000 0.521998 0.537952 S\n0.250000 0.297071 0.219457 S\n0.250000 0.202929 0.719457 S\n0.750000 0.702929 0.780543 S\n0.750000 0.797071 0.280543 S\n0.250000 0.867725 0.289616 S\n0.250000 0.632275 0.789616 S\n0.750000 0.132275 0.710384 S\n0.750000 0.367725 0.210384 S\n",
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{
"id": "mp-1205551",
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"structure_string": "Pr2 Si2 Ru4 C2\n1.0\n1.976922 -5.582924 0.000000\n1.976922 5.582924 0.000000\n0.000000 0.000000 7.253217\nPr Si Ru C\n2 2 4 2\ndirect\n0.549838 0.450162 0.250000 Pr\n0.450162 0.549838 0.750000 Pr\n0.271270 0.728730 0.250000 Si\n0.728730 0.271270 0.750000 Si\n0.835315 0.164685 0.059305 Ru\n0.164685 0.835315 0.940695 Ru\n0.164685 0.835315 0.559305 Ru\n0.835315 0.164685 0.440695 Ru\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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{
"id": "mp-1023371",
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"structure_string": "Sn4 S1 F6\n1.0\n5.112537 0.000000 0.000000\n0.000000 7.230219 0.000000\n0.000000 3.615109 6.261553\nSn S F\n4 1 6\ndirect\n0.995247 0.508520 0.500886 Sn\n0.992366 0.494361 0.995247 Sn\n0.500886 0.997119 0.992366 Sn\n0.490579 0.000000 0.490579 Sn\n0.920238 0.000000 0.920238 S\n0.697579 0.256580 0.389479 F\n0.132900 0.308099 0.697579 F\n0.389479 0.435321 0.132900 F\n0.416499 0.869224 0.670921 F\n0.801697 0.745579 0.416499 F\n0.670921 0.385197 0.801697 F\n",
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{
"id": "mp-1198652",
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"structure_string": "Te4 H72 C36 S24 N12 Cl4\n1.0\n9.454016 0.000000 0.000000\n0.000000 14.614235 0.000000\n0.000000 0.000000 15.633955\nTe H C S N Cl\n4 72 36 24 12 4\ndirect\n0.665759 0.997052 0.028344 Te\n0.334241 0.497052 0.971656 Te\n0.834241 0.497052 0.528344 Te\n0.165759 0.997052 0.471656 Te\n0.984195 0.668485 0.194253 H\n0.015805 0.168485 0.805747 H\n0.515805 0.168485 0.694253 H\n0.484195 0.668485 0.305747 H\n0.853288 0.748333 0.230754 H\n0.146712 0.248333 0.769246 H\n0.646712 0.248333 0.730754 H\n0.353288 0.748333 0.269246 H\n0.033398 0.757633 0.266129 H\n0.966602 0.257633 0.733871 H\n0.466602 0.257633 0.766129 H\n0.533398 0.757633 0.233871 H\n0.136119 0.767171 0.036200 H\n0.863881 0.267171 0.963800 H\n0.363881 0.267171 0.536200 H\n0.636119 0.767171 0.463800 H\n0.199581 0.852116 0.109357 H\n0.800419 0.352116 0.890643 H\n0.300419 0.352116 0.609357 H\n0.699581 0.852116 0.390643 H\n0.191976 0.734959 0.140634 H\n0.808024 0.234959 0.859366 H\n0.308024 0.234959 0.640634 H\n0.691976 0.734959 0.359366 H\n0.057398 0.119662 0.003580 H\n0.942602 0.619662 0.996420 H\n0.442602 0.619662 0.503580 H\n0.557398 0.119662 0.496420 H\n0.110026 0.216302 0.064975 H\n0.889974 0.716302 0.935025 H\n0.389974 0.716302 0.564975 H\n0.610026 0.216302 0.435025 H\n0.215694 0.182141 0.975779 H\n0.784306 0.682141 0.024221 H\n0.284306 0.682141 0.475779 H\n0.715694 0.182141 0.524221 H\n0.229162 0.035990 0.206952 H\n0.770838 0.535990 0.793048 H\n0.270838 0.535990 0.706952 H\n0.729162 0.035990 0.293048 H\n0.120449 0.135152 0.195986 H\n0.879551 0.635152 0.804014 H\n0.379551 0.635152 0.695986 H\n0.620449 0.135152 0.304014 H\n0.065225 0.030374 0.148393 H\n0.934775 0.530374 0.851607 H\n0.434775 0.530374 0.648393 H\n0.565225 0.030374 0.351607 H\n0.777327 0.932336 0.686012 H\n0.222673 0.432336 0.313988 H\n0.722673 0.432336 0.186012 H\n0.277327 0.932336 0.813988 H\n0.620551 0.999831 0.679416 H\n0.379449 0.499831 0.320584 H\n0.879449 0.499831 0.179416 H\n0.120551 0.999831 0.820584 H\n0.625681 0.888955 0.631392 H\n0.374319 0.388955 0.368608 H\n0.874319 0.388955 0.131392 H\n0.125681 0.888955 0.868608 H\n0.511273 0.788965 0.687710 H\n0.488727 0.288965 0.312290 H\n0.988727 0.288965 0.187710 H\n0.011273 0.788965 0.812290 H\n0.568526 0.745472 0.788537 H\n0.431474 0.245472 0.211463 H\n0.931474 0.245472 0.288537 H\n0.068526 0.745472 0.711463 H\n0.414751 0.815374 0.783004 H\n0.585249 0.315374 0.216996 H\n0.085249 0.315374 0.283004 H\n0.914751 0.815374 0.716996 H\n0.964115 0.740158 0.211971 C\n0.035885 0.240158 0.788029 C\n0.535885 0.240158 0.711971 C\n0.464115 0.740158 0.288029 C\n0.138617 0.788411 0.103587 C\n0.861383 0.288411 0.896413 C\n0.361383 0.288411 0.603587 C\n0.638617 0.788411 0.396413 C\n0.149562 0.157468 0.028270 C\n0.850438 0.657468 0.971730 C\n0.350438 0.657468 0.528270 C\n0.649562 0.157468 0.471730 C\n0.157806 0.072806 0.163950 C\n0.842194 0.572806 0.836050 C\n0.342194 0.572806 0.663950 C\n0.657806 0.072806 0.336050 C\n0.661141 0.929685 0.686004 C\n0.338859 0.429685 0.313996 C\n0.838859 0.429685 0.186004 C\n0.161141 0.929685 0.813996 C\n0.520663 0.804452 0.755842 C\n0.479337 0.304452 0.244158 C\n0.979337 0.304452 0.255842 C\n0.020663 0.804452 0.744158 C\n0.902988 0.859122 0.105412 C\n0.097012 0.359122 0.894588 C\n0.597012 0.359122 0.605412 C\n0.402988 0.859122 0.394588 C\n0.359199 0.066083 0.064137 C\n0.640801 0.566083 0.935863 C\n0.140801 0.566083 0.564137 C\n0.859199 0.066083 0.435863 C\n0.634230 0.923452 0.841508 C\n0.365770 0.423452 0.158492 C\n0.865770 0.423452 0.341508 C\n0.134230 0.923452 0.658492 C\n0.737230 0.873623 0.151142 S\n0.262770 0.373623 0.848858 S\n0.762770 0.373623 0.651142 S\n0.237230 0.873623 0.348858 S\n0.944378 0.921612 0.016263 S\n0.055622 0.421612 0.983737 S\n0.555622 0.421612 0.516263 S\n0.444378 0.921612 0.483737 S\n0.445589 0.990442 0.131960 S\n0.554411 0.490442 0.868040 S\n0.054411 0.490442 0.631960 S\n0.945589 0.990442 0.368040 S\n0.443374 0.096628 0.971272 S\n0.556626 0.596628 0.028728 S\n0.056626 0.596628 0.471272 S\n0.943374 0.096628 0.528728 S\n0.571408 0.865558 0.930908 S\n0.428592 0.365558 0.069092 S\n0.928592 0.365558 0.430908 S\n0.071408 0.865558 0.569092 S\n0.726392 0.023691 0.851645 S\n0.273608 0.523691 0.148355 S\n0.773608 0.523691 0.351645 S\n0.226392 0.023691 0.648355 S\n0.995660 0.799253 0.138846 N\n0.004340 0.299253 0.861154 N\n0.504340 0.299253 0.638846 N\n0.495660 0.799253 0.361154 N\n0.230904 0.098248 0.085059 N\n0.769096 0.598248 0.914941 N\n0.269096 0.598248 0.585059 N\n0.730904 0.098248 0.414941 N\n0.607733 0.886955 0.764394 N\n0.392267 0.386955 0.235606 N\n0.892267 0.386955 0.264394 N\n0.107733 0.886955 0.735606 N\n0.755495 0.145847 0.103221 Cl\n0.244505 0.645847 0.896779 Cl\n0.744505 0.645847 0.603221 Cl\n0.255495 0.145847 0.396779 Cl\n",
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{
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