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"structure_string": "Ba1 Li4 Cd1\n1.0\n0.000000 4.167847 4.167847\n4.167847 -0.000000 4.167847\n4.167847 4.167847 0.000000\nBa Li Cd\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.114387 0.628538 0.628538 Li\n0.628538 0.628538 0.628538 Li\n0.628538 0.114387 0.628538 Li\n0.628538 0.628538 0.114387 Li\n0.000000 0.000000 0.000000 Cd\n",
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{
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"structure_string": "Na2 Lu1 Ag1 Cl6\n1.0\n6.378732 0.000000 3.682762\n2.126244 6.013926 3.682762\n0.000000 0.000000 7.365525\nNa Lu Ag Cl\n2 1 1 6\ndirect\n0.749999 0.750001 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Lu\n0.499999 0.500000 0.499999 Ag\n0.755416 0.244584 0.244583 Cl\n0.244583 0.244584 0.755416 Cl\n0.244583 0.755417 0.755416 Cl\n0.244583 0.755417 0.244583 Cl\n0.755416 0.244584 0.755416 Cl\n0.755415 0.755417 0.244583 Cl\n",
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"structure_string": "Sc4 Fe2 S8\n1.0\n6.404153 0.000000 3.697440\n2.134718 6.037894 3.697440\n-0.000000 0.000000 7.394879\nSc Fe S\n4 2 8\ndirect\n0.500000 0.000000 0.500000 Sc\n0.000000 0.500000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.875000 0.874999 0.875000 Fe\n0.125000 0.125000 0.125000 Fe\n0.746597 0.746597 0.746598 S\n0.253403 0.253403 0.739793 S\n0.253403 0.739793 0.253403 S\n0.739793 0.253403 0.253403 S\n0.746597 0.260207 0.746598 S\n0.260207 0.746597 0.746598 S\n0.253403 0.253403 0.253403 S\n0.746597 0.746597 0.260207 S\n",
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"structure_string": "Li4 Ti4 P4 O20\n1.0\n6.429033 -0.000000 0.000000\n-0.000000 7.257740 0.000000\n0.000000 0.000000 7.414474\nLi Ti P O\n4 4 4 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.250000 0.721344 0.164216 Ti\n0.750000 0.278656 0.835783 Ti\n0.250000 0.778656 0.664216 Ti\n0.750000 0.221344 0.335784 Ti\n0.250000 0.130533 0.374007 P\n0.750000 0.869467 0.625992 P\n0.750000 0.630533 0.125992 P\n0.250000 0.369467 0.874007 P\n0.056285 0.255771 0.372353 O\n0.943714 0.744229 0.627646 O\n0.556285 0.755771 0.127646 O\n0.250000 0.015038 0.549126 O\n0.750000 0.984962 0.450873 O\n0.750000 0.515038 0.950873 O\n0.250000 0.484962 0.049127 O\n0.750000 0.503517 0.294513 O\n0.250000 0.496483 0.705487 O\n0.250000 0.003517 0.205487 O\n0.750000 -0.003517 0.794513 O\n0.056285 0.244229 0.872353 O\n0.250000 0.654532 0.389420 O\n0.250000 0.845468 0.889419 O\n0.750000 0.154532 0.110580 O\n0.443714 0.244229 0.872353 O\n0.943714 0.755771 0.127646 O\n0.556285 0.744229 0.627646 O\n0.443714 0.255771 0.372353 O\n0.750000 0.345468 0.610580 O\n",
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"structure_string": "Mn2 C4 O12\n1.0\n3.970384 0.000129 -2.292399\n1.324050 10.029223 2.294085\n0.000041 0.000519 4.584643\nMn C O\n2 4 12\ndirect\n0.749991 0.749998 0.500012 Mn\n0.250008 0.250001 0.499989 Mn\n0.880724 0.357735 0.761411 C\n0.380709 0.857730 0.761436 C\n0.619289 0.142269 0.238563 C\n0.119277 0.642265 0.238590 C\n0.855354 0.640291 0.943126 O\n0.355371 0.140297 0.943102 O\n0.087737 0.640293 0.504485 O\n0.587751 0.140298 0.504460 O\n0.412247 0.859702 0.495540 O\n0.144646 0.359708 0.056876 O\n0.644627 0.859702 0.056897 O\n0.583291 0.359700 0.727901 O\n0.416705 0.640299 0.272099 O\n0.916724 0.140304 0.272076 O\n0.912261 0.359707 0.495513 O\n0.083278 0.859696 0.727924 O\n",
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"structure_string": "Zr1 Fe1 F6\n1.0\n5.001391 0.000000 2.887554\n1.667130 4.715357 2.887554\n-0.000000 0.000000 5.775109\nZr Fe F\n1 1 6\ndirect\n0.500000 0.500000 0.499999 Zr\n0.000000 0.000000 0.000000 Fe\n0.251484 0.748517 0.748516 F\n0.251484 0.748517 0.251483 F\n0.748516 0.251484 0.251483 F\n0.748516 0.748517 0.251483 F\n0.251484 0.251484 0.748516 F\n0.748516 0.251484 0.748516 F\n",
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