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{
"id": "mp-1215061",
"created_at": "2022-09-04T14:43:41.522059Z",
"structure_string": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2\n1.0\n4.913552 -5.383477 0.000000\n4.913552 5.383477 0.000000\n0.000000 0.000000 21.343984\nBa Na Ti Mn Re Si H O F\n4 2 4 2 4 16 2 52 2\ndirect\n0.384476 0.560272 0.250000 Ba\n0.560272 0.384476 0.750000 Ba\n0.916325 0.983177 0.250000 Ba\n0.983177 0.916325 0.750000 Ba\n0.953866 0.953866 0.000000 Na\n0.953866 0.953866 0.500000 Na\n0.876801 0.499494 0.185811 Ti\n0.499494 0.876801 0.814189 Ti\n0.499494 0.876801 0.685811 Ti\n0.876801 0.499494 0.314189 Ti\n0.321765 0.321765 0.000000 Mn\n0.321765 0.321765 0.500000 Mn\n0.920595 0.460330 0.023869 Re\n0.460330 0.920595 0.976131 Re\n0.460330 0.920595 0.523869 Re\n0.920595 0.460330 0.476131 Re\n0.164100 0.208698 0.128581 Si\n0.208698 0.164100 0.871419 Si\n0.208698 0.164100 0.628581 Si\n0.164100 0.208698 0.371419 Si\n0.198718 0.790673 0.098079 Si\n0.790673 0.198718 0.901921 Si\n0.790673 0.198718 0.598079 Si\n0.198718 0.790673 0.401921 Si\n0.209626 0.575137 0.604464 Si\n0.575137 0.209626 0.395536 Si\n0.575137 0.209626 0.104464 Si\n0.209626 0.575137 0.895536 Si\n0.605900 0.818177 0.118226 Si\n0.818177 0.605900 0.881774 Si\n0.818177 0.605900 0.618226 Si\n0.605900 0.818177 0.381774 Si\n0.305439 0.918145 0.250000 H\n0.918145 0.305439 0.750000 H\n0.132674 0.493514 0.537178 O\n0.493514 0.132674 0.462822 O\n0.493514 0.132674 0.037178 O\n0.132674 0.493514 0.962822 O\n0.030237 0.626651 0.100010 O\n0.626651 0.030237 0.899990 O\n0.626651 0.030237 0.600010 O\n0.030237 0.626651 0.399990 O\n0.089442 0.269096 0.060205 O\n0.269096 0.089442 0.939795 O\n0.269096 0.089442 0.560205 O\n0.089442 0.269096 0.439795 O\n0.741514 0.375923 0.099546 O\n0.375923 0.741514 0.900454 O\n0.375923 0.741514 0.599546 O\n0.741514 0.375923 0.400454 O\n0.645441 0.035656 0.144630 O\n0.035656 0.645441 0.855370 O\n0.035656 0.645441 0.644630 O\n0.645441 0.035656 0.355370 O\n0.387609 0.738331 0.133191 O\n0.738331 0.387609 0.866809 O\n0.738331 0.387609 0.633191 O\n0.387609 0.738331 0.366809 O\n0.979933 0.126169 0.629652 O\n0.126169 0.979933 0.370348 O\n0.126169 0.979933 0.129652 O\n0.979933 0.126169 0.870348 O\n0.018847 0.631100 0.250000 O\n0.631100 0.018847 0.750000 O\n0.722264 0.385266 0.250000 O\n0.385266 0.722264 0.750000 O\n0.642953 0.829945 0.042723 O\n0.829945 0.642953 0.957277 O\n0.829945 0.642953 0.542723 O\n0.642953 0.829945 0.457277 O\n0.279763 0.386628 0.638383 O\n0.386628 0.279763 0.361617 O\n0.386628 0.279763 0.138383 O\n0.279763 0.386628 0.861617 O\n0.242979 0.827574 0.024669 O\n0.827574 0.242979 0.975331 O\n0.827574 0.242979 0.524669 O\n0.242979 0.827574 0.475331 O\n0.048526 0.299810 0.182919 O\n0.299810 0.048526 0.817081 O\n0.299810 0.048526 0.682919 O\n0.048526 0.299810 0.317081 O\n0.721705 0.704180 0.168051 O\n0.704180 0.721705 0.831949 O\n0.704180 0.721705 0.668051 O\n0.721705 0.704180 0.331949 O\n0.514910 0.514910 0.000000 F\n0.514910 0.514910 0.500000 F\n",
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"elements": [
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"Re",
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],
"chemical_system": "Ba-F-H-Mn-Na-O-Re-Si-Ti",
"density": 4.357013130121373,
"density_atomic": 0.07793252926967291,
"volume": 1129.1818811050034,
"volume_molar": 7.727377535972631,
"formula_full": "Ba4 Na2 Ti4 Mn2 Re4 Si16 H2 O52 F2",
"formula_reduced": "Ba2NaTi2MnRe2Si8HO26F",
"formula_anonymous": "ABCDE2F2G2H8I26",
"energy": -711.0358577100001,
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"band_gap": 0.2375999999999996,
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"updated_at": "2021-11-28T01:36:14.723000Z",
"spacegroup": 40
},
{
"id": "mp-1213447",
"created_at": "2022-09-04T14:46:38.302687Z",
"structure_string": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2\n1.0\n7.104738 0.000000 0.000000\n0.000000 5.406976 0.000000\n0.000000 1.546886 20.790678\nK Ba Na Ca Ti Fe Si O F\n1 1 1 1 4 8 8 38 2\ndirect\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Ca\n0.500000 0.522942 0.410055 Ti\n0.500000 0.477058 0.589945 Ti\n0.000000 0.978341 0.088966 Ti\n0.000000 0.021659 0.911034 Ti\n0.000000 0.279068 0.249739 Fe\n0.000000 0.720932 0.750262 Fe\n0.739317 0.733939 0.262269 Fe\n0.260683 0.266061 0.737731 Fe\n0.739317 0.266061 0.737731 Fe\n0.260683 0.733939 0.262269 Fe\n0.500000 0.753176 0.747748 Fe\n0.500000 0.246824 0.252252 Fe\n0.725270 0.460987 0.124713 Si\n0.274730 0.539013 0.875287 Si\n0.725270 0.539013 0.875287 Si\n0.274730 0.460987 0.124713 Si\n0.781673 0.957325 0.619170 Si\n0.218327 0.042675 0.380830 Si\n0.781673 0.042675 0.380830 Si\n0.218327 0.957325 0.619170 Si\n0.754277 0.417725 0.203944 O\n0.245723 0.582275 0.796056 O\n0.754277 0.582275 0.796056 O\n0.245723 0.417725 0.203944 O\n0.500000 0.500000 0.000000 O\n0.697346 0.725377 0.585151 O\n0.302654 0.274623 0.414849 O\n0.697346 0.274623 0.414849 O\n0.302654 0.725377 0.585151 O\n0.000000 0.000000 0.000000 O\n0.000000 0.580425 0.285269 O\n0.000000 0.419575 0.714731 O\n0.500000 0.460900 0.116583 O\n0.500000 0.539100 0.883417 O\n0.792051 0.921838 0.698497 O\n0.207949 0.078162 0.301503 O\n0.792051 0.078162 0.301503 O\n0.207949 0.921838 0.698497 O\n0.500000 0.502006 0.309315 O\n0.500000 0.497994 0.690685 O\n0.500000 0.916861 0.230673 O\n0.500000 0.083139 0.769327 O\n0.812768 0.720154 0.093884 O\n0.187232 0.279846 0.906116 O\n0.812768 0.279846 0.906116 O\n0.187232 0.720154 0.093884 O\n0.000000 0.021883 0.409508 O\n0.000000 0.978117 0.590492 O\n0.689721 0.780830 0.404848 O\n0.310279 0.219170 0.595152 O\n0.689721 0.219170 0.595152 O\n0.310279 0.780830 0.404848 O\n0.000000 0.000000 0.500000 O\n0.812552 0.239855 0.085566 O\n0.187448 0.760145 0.914434 O\n0.812552 0.760145 0.914434 O\n0.187448 0.239855 0.085566 O\n0.500000 0.500000 0.500000 O\n0.000000 0.996685 0.190202 F\n0.000000 0.003315 0.809798 F\n",
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"elements": [
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"density": 3.6350763449044896,
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"volume": 798.6769693193114,
"volume_molar": 7.515226767204836,
"formula_full": "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2",
"formula_reduced": "KBaNaCaTi4Fe8Si8(O19F)2",
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"energy": -509.28300255,
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"updated_at": "2021-11-28T01:37:46.531000Z",
"spacegroup": 10
},
{
"id": "mp-1201374",
"created_at": "2022-09-04T14:47:36.915738Z",
"structure_string": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4\n1.0\n8.338912 0.000000 0.000000\n0.000000 19.350501 0.000000\n-0.048109 0.000000 8.155751\nCs Ca Ag H C S N O\n4 2 4 8 12 12 12 4\ndirect\n0.752055 0.882738 0.977309 Cs\n0.247945 0.382738 0.522691 Cs\n0.247945 0.117262 0.022691 Cs\n0.752055 0.617262 0.477309 Cs\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.271323 0.782704 0.014888 Ag\n0.728677 0.282704 0.485112 Ag\n0.728677 0.217296 0.985112 Ag\n0.271323 0.717296 0.514888 Ag\n0.663297 0.954901 0.526767 H\n0.336703 0.454901 0.973233 H\n0.336703 0.045099 0.473233 H\n0.663297 0.545099 0.026767 H\n0.662564 0.023299 0.629027 H\n0.337436 0.523299 0.870973 H\n0.337436 0.976701 0.370973 H\n0.662564 0.476701 0.129027 H\n0.185251 0.939419 0.870258 C\n0.814749 0.439419 0.629742 C\n0.814749 0.060581 0.129742 C\n0.185251 0.560581 0.370258 C\n0.016621 0.673243 0.862497 C\n0.983379 0.173243 0.637503 C\n0.983379 0.326757 0.137503 C\n0.016621 0.826757 0.362497 C\n0.524131 0.653114 0.960897 C\n0.475869 0.153114 0.539103 C\n0.475869 0.346886 0.039103 C\n0.524131 0.846886 0.460897 C\n0.297969 0.914589 0.025199 S\n0.702031 0.414589 0.474801 S\n0.702031 0.085411 0.974801 S\n0.297969 0.585411 0.525199 S\n0.063453 0.750752 0.796719 S\n0.936547 0.250752 0.703281 S\n0.936547 0.249248 0.203281 S\n0.063453 0.749248 0.296719 S\n0.523656 0.718812 0.089662 S\n0.476344 0.218812 0.410338 S\n0.476344 0.281188 0.910338 S\n0.523656 0.781188 0.589662 S\n0.102515 0.960090 0.762099 N\n0.897485 0.460090 0.737901 N\n0.897485 0.039910 0.237901 N\n0.102515 0.539910 0.262099 N\n0.980192 0.616966 0.904788 N\n0.019808 0.116966 0.595212 N\n0.019808 0.383034 0.095212 N\n0.980192 0.883034 0.404788 N\n0.529757 0.603806 0.874365 N\n0.470243 0.103806 0.625635 N\n0.470243 0.396194 0.125635 N\n0.529757 0.896194 0.374365 N\n0.729572 0.983602 0.600333 O\n0.270428 0.483602 0.899667 O\n0.270428 0.016398 0.399667 O\n0.729572 0.516398 0.100333 O\n",
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"elements": [
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],
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"formula_full": "Cs4 Ca2 Ag4 H8 C12 S12 N12 O4",
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"updated_at": "2021-11-28T01:38:17.969000Z",
"spacegroup": 14
},
{
"id": "mp-1224604",
"created_at": "2022-09-04T14:40:06.428812Z",
"structure_string": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48\n1.0\n10.117259 0.000000 0.000000\n3.542755 9.900338 0.000000\n3.520129 1.624428 9.775165\nK Na Li Ti Mn Fe Si O\n2 4 2 4 3 1 16 48\ndirect\n0.249821 0.431555 0.568097 K\n0.750285 0.567796 0.432047 K\n0.698032 0.051422 0.472524 Na\n0.802032 0.527435 0.948470 Na\n0.301974 0.948712 0.527181 Na\n0.198208 0.472459 0.051693 Na\n0.248818 0.926970 0.075446 Li\n0.750125 0.073116 0.926412 Li\n0.379646 0.143736 0.035408 Ti\n0.119678 0.965718 0.855815 Ti\n0.619780 0.855911 0.965267 Ti\n0.880967 0.033961 0.144286 Ti\n0.402003 0.655075 0.026661 Mn\n0.903764 0.026891 0.652691 Mn\n0.598003 0.345370 0.972950 Mn\n0.097011 0.971135 0.345814 Fe\n0.107478 0.706955 0.756307 Si\n0.392415 0.244056 0.293177 Si\n0.892677 0.292578 0.244254 Si\n0.607835 0.756059 0.706750 Si\n0.935594 0.742631 0.549891 Si\n0.564047 0.450194 0.257859 Si\n0.065391 0.255786 0.448834 Si\n0.435513 0.550323 0.742392 Si\n0.081173 0.251660 0.955870 Si\n0.418566 0.044328 0.748365 Si\n0.918672 0.748481 0.044359 Si\n0.581452 0.955825 0.251863 Si\n0.418034 0.750661 0.296333 Si\n0.080988 0.703854 0.251190 Si\n0.581301 0.250514 0.703166 Si\n0.919091 0.296204 0.749008 Si\n0.019884 0.667884 0.671866 O\n0.479501 0.328733 0.332672 O\n0.980046 0.332799 0.327785 O\n0.520122 0.671870 0.667494 O\n0.905185 0.129013 0.274049 O\n0.598215 0.726730 0.869175 O\n0.097865 0.869246 0.727014 O\n0.401948 0.273176 0.130902 O\n0.261004 0.812277 0.395981 O\n0.237065 0.602379 0.193131 O\n0.736765 0.192636 0.601154 O\n0.763457 0.398539 0.806502 O\n0.063061 0.869168 0.213174 O\n0.435900 0.788202 0.131435 O\n0.936150 0.130918 0.787857 O\n0.564159 0.212228 0.868376 O\n0.256365 0.072652 0.168343 O\n0.242949 0.832159 0.927534 O\n0.743324 0.926616 0.832249 O\n0.756953 0.168226 0.073813 O\n0.240988 0.268476 0.939995 O\n0.258614 0.060302 0.731578 O\n0.758733 0.731563 0.060693 O\n0.741558 0.939440 0.268375 O\n0.069304 0.092269 0.997229 O\n0.430605 0.002657 0.907743 O\n0.930390 0.907915 0.002993 O\n0.569477 0.997174 0.092501 O\n0.773606 0.712713 0.609762 O\n0.726234 0.389165 0.288280 O\n0.226720 0.287224 0.390085 O\n0.273575 0.610223 0.711829 O\n0.920157 0.903743 0.511988 O\n0.580792 0.486703 0.096634 O\n0.081182 0.094940 0.484123 O\n0.419069 0.513784 0.903558 O\n0.035925 0.658930 0.921726 O\n0.464673 0.078534 0.341282 O\n0.963514 0.340771 0.078726 O\n0.535854 0.921641 0.658866 O\n0.965300 0.672030 0.185669 O\n0.533969 0.814792 0.329265 O\n0.034820 0.328459 0.814377 O\n0.464955 0.185605 0.671407 O\n0.017855 0.658660 0.420528 O\n0.480994 0.581023 0.341017 O\n0.983439 0.338243 0.579644 O\n0.517407 0.420198 0.659235 O\n",
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"formula_full": "K2 Na4 Li2 Ti4 Mn3 Fe1 Si16 O48",
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{
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"formula_full": "Ga2 Co2 P2 H36 C18 N2 Cl4 O6",
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},
{
"id": "mp-863003",
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"structure_string": "Na1 Al6 Fe3 Si6 B3 H3 O30 F1\n1.0\n5.234752 -8.037285 0.000000\n5.234752 8.037285 0.000000\n-7.105459 0.000000 6.443060\nNa Al Fe Si B H O F\n1 6 3 6 3 3 30 1\ndirect\n0.219193 0.219193 0.219193 Na\n0.906405 0.572860 0.349263 Al\n0.349263 0.906405 0.572860 Al\n0.572860 0.349263 0.906405 Al\n0.349263 0.572860 0.906405 Al\n0.906405 0.349263 0.572860 Al\n0.572860 0.906405 0.349263 Al\n0.576693 0.743648 0.576693 Fe\n0.576693 0.576693 0.743648 Fe\n0.743648 0.576693 0.576693 Fe\n0.187735 0.994072 0.805322 Si\n0.805322 0.187735 0.994072 Si\n0.994072 0.805322 0.187735 Si\n0.805322 0.994072 0.187735 Si\n0.187735 0.805322 0.994072 Si\n0.994072 0.187735 0.805322 Si\n0.560193 0.226575 0.560193 B\n0.560193 0.560193 0.226575 B\n0.226575 0.560193 0.560193 B\n0.245066 0.642834 0.245066 H\n0.245066 0.245066 0.642834 H\n0.642834 0.245066 0.245066 H\n0.528304 0.342087 0.528303 O\n0.528304 0.528304 0.342087 O\n0.342087 0.528304 0.528304 O\n0.375594 0.781934 0.375594 O\n0.375594 0.375594 0.781934 O\n0.781934 0.375594 0.375594 O\n0.160213 0.880705 0.160213 O\n0.160213 0.160213 0.880705 O\n0.880705 0.160213 0.160213 O\n0.993169 0.273166 0.993169 O\n0.993169 0.993169 0.273166 O\n0.273166 0.993169 0.993169 O\n0.969220 0.765451 0.585356 O\n0.585356 0.969220 0.765451 O\n0.765451 0.585356 0.969220 O\n0.585356 0.765451 0.969220 O\n0.969220 0.585356 0.765451 O\n0.765451 0.969220 0.585356 O\n0.364178 0.078736 0.793006 O\n0.793006 0.364178 0.078736 O\n0.078736 0.793006 0.364178 O\n0.793006 0.078736 0.364178 O\n0.364178 0.793006 0.078736 O\n0.078736 0.364178 0.793006 O\n0.651842 0.502606 0.168369 O\n0.168369 0.651842 0.502606 O\n0.502606 0.168369 0.651842 O\n0.168369 0.502606 0.651842 O\n0.651842 0.168369 0.502606 O\n0.502606 0.651842 0.168369 O\n0.849422 0.849422 0.849422 F\n",
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{
"id": "mp-1213587",
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"structure_string": "K4 Ba2 Na4 Ti8 Mn1 Si16 W8 O58\n1.0\n7.142158 7.824797 0.000000\n-7.142158 7.824797 0.000000\n0.000000 6.048685 13.214019\nK Ba Na Ti Mn Si W O\n4 2 4 8 1 16 8 58\ndirect\n0.410209 0.410209 0.182328 K\n0.589791 0.589791 0.817672 K\n0.912590 0.912590 0.692761 K\n0.087410 0.087410 0.307239 K\n0.603983 0.603983 0.329762 Ba\n0.396017 0.396017 0.670238 Ba\n0.478017 0.971086 0.385294 Na\n0.521983 0.028914 0.614706 Na\n0.028914 0.521983 0.614706 Na\n0.971086 0.478017 0.385294 Na\n0.727215 0.272785 0.500000 Ti\n0.272785 0.727215 0.500000 Ti\n0.765420 0.234580 0.000000 Ti\n0.234580 0.765420 0.000000 Ti\n0.737764 0.264235 0.257179 Ti\n0.262236 0.735765 0.742821 Ti\n0.735765 0.262236 0.742821 Ti\n0.264235 0.737764 0.257179 Ti\n0.000000 0.000000 0.000000 Mn\n0.263107 0.043296 0.061115 Si\n0.736893 0.956704 0.938885 Si\n0.956704 0.736893 0.938885 Si\n0.043296 0.263107 0.061115 Si\n0.520051 0.735113 0.063378 Si\n0.479949 0.264887 0.936622 Si\n0.264887 0.479949 0.936622 Si\n0.735113 0.520051 0.063378 Si\n0.764624 0.985605 0.440281 Si\n0.235375 0.014395 0.559719 Si\n0.014395 0.235376 0.559719 Si\n0.985605 0.764625 0.440281 Si\n0.458072 0.243322 0.439552 Si\n0.541928 0.756678 0.560448 Si\n0.756678 0.541928 0.560448 Si\n0.243322 0.458072 0.439552 Si\n0.751611 0.966907 0.214968 W\n0.248389 0.033093 0.785032 W\n0.033093 0.248389 0.785032 W\n0.966907 0.751611 0.214968 W\n0.495518 0.050749 0.164541 W\n0.504482 0.949251 0.835459 W\n0.949251 0.504482 0.835459 W\n0.050749 0.495518 0.164541 W\n0.613450 0.866057 0.028872 O\n0.386550 0.133943 0.971128 O\n0.133943 0.386550 0.971128 O\n0.866057 0.613450 0.028872 O\n0.320017 0.767163 0.353619 O\n0.679983 0.232837 0.646381 O\n0.232837 0.679983 0.646381 O\n0.767163 0.320017 0.353619 O\n0.151028 0.151028 0.099831 O\n0.848972 0.848972 0.900169 O\n0.612141 0.612141 0.030714 O\n0.387859 0.387859 0.969286 O\n0.639336 0.639336 0.605925 O\n0.360664 0.360664 0.394075 O\n0.445157 0.684498 0.184047 O\n0.554843 0.315502 0.815953 O\n0.315502 0.554843 0.815953 O\n0.684498 0.445157 0.184047 O\n0.789682 0.039906 0.997855 O\n0.210318 0.960094 0.002145 O\n0.960094 0.210318 0.002145 O\n0.039906 0.789682 0.997855 O\n0.633671 0.887483 0.482540 O\n0.366329 0.112517 0.517460 O\n0.112517 0.366329 0.517460 O\n0.887483 0.633671 0.482540 O\n0.731291 0.082646 0.510517 O\n0.268709 0.917354 0.489483 O\n0.917354 0.268709 0.489483 O\n0.082646 0.731291 0.510517 O\n0.581350 0.229426 0.004693 O\n0.418650 0.770574 0.995307 O\n0.770574 0.418650 0.995307 O\n0.229426 0.581350 0.004693 O\n0.527340 0.288581 0.509488 O\n0.472660 0.711419 0.490512 O\n0.711419 0.472660 0.490512 O\n0.288581 0.527340 0.509488 O\n0.697775 0.169572 0.150585 O\n0.302225 0.830428 0.849415 O\n0.830428 0.302225 0.849415 O\n0.169572 0.697775 0.150585 O\n0.554100 0.204688 0.341622 O\n0.445900 0.795312 0.658378 O\n0.795312 0.445900 0.658378 O\n0.204688 0.554100 0.341622 O\n0.791791 0.062819 0.319239 O\n0.208209 0.937181 0.680761 O\n0.937181 0.208209 0.680761 O\n0.062819 0.791791 0.319239 O\n0.313908 0.951834 0.157111 O\n0.686092 0.048166 0.842889 O\n0.048166 0.686092 0.842889 O\n0.951834 0.313908 0.157111 O\n0.953821 0.953821 0.157426 O\n0.046179 0.046179 0.842574 O\n0.896587 0.896587 0.457812 O\n0.103413 0.103413 0.542188 O\n",
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{
"id": "mp-1201468",
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"structure_string": "K2 P2 H24 Pt2 C4 N4 Cl4 O8\n1.0\n7.740287 0.012417 2.913033\n0.400546 8.839945 0.736709\n-0.042525 -0.118585 8.954006\nK P H Pt C N Cl O\n2 2 24 2 4 4 4 8\ndirect\n0.423466 0.217712 0.580196 K\n0.576534 0.782288 0.419804 K\n0.182095 0.782327 0.268022 P\n0.817905 0.217673 0.731978 P\n0.206040 0.544824 0.406755 H\n0.793960 0.455176 0.593245 H\n0.381391 0.562867 0.222807 H\n0.618609 0.437133 0.777193 H\n0.402498 0.803996 0.006237 H\n0.597502 0.196004 0.993763 H\n0.239541 0.953797 0.038642 H\n0.760459 0.046203 0.961358 H\n0.023347 0.501336 0.248966 H\n0.976653 0.498664 0.751034 H\n0.185245 0.372876 0.225379 H\n0.814755 0.627124 0.774621 H\n0.138649 0.025794 0.680400 H\n0.861351 0.974206 0.319600 H\n0.043067 0.766013 0.017421 H\n0.956933 0.233987 0.982579 H\n0.206957 0.794852 0.850471 H\n0.793043 0.205148 0.149529 H\n0.143208 0.195936 0.472324 H\n0.856792 0.804064 0.527676 H\n0.258398 0.091404 0.338466 H\n0.741602 0.908596 0.661534 H\n0.227834 0.901259 0.560717 H\n0.772166 0.098741 0.439283 H\n0.221584 0.516243 0.955868 Pt\n0.778416 0.483757 0.044132 Pt\n0.240577 0.580114 0.279508 C\n0.759423 0.419886 0.720492 C\n0.262569 0.830742 0.053808 C\n0.737431 0.169258 0.946192 C\n0.155957 0.485478 0.200618 N\n0.844043 0.514522 0.799382 N\n0.175382 0.748723 0.966242 N\n0.824618 0.251277 0.033758 N\n0.267343 0.254124 0.947707 Cl\n0.732657 0.745876 0.052293 Cl\n0.294172 0.549221 0.679472 Cl\n0.705828 0.450779 0.320528 Cl\n0.280105 0.866158 0.348982 O\n0.719895 0.133842 0.651018 O\n0.985096 0.803606 0.326552 O\n0.014904 0.196394 0.673448 O\n0.240317 0.197610 0.368521 O\n0.759683 0.802390 0.631479 O\n0.229717 0.942632 0.660042 O\n0.770283 0.057368 0.339958 O\n",
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{
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}