195025'5,15,20,25,30,35,40,45,50''-247.97870206,-248.30530184,-248.31355584,-248.31379674,-248.31383431,-248.31377804,-248.31390116,-248.31384685,-248.31383349''500,550,600,650,700,750,800,850,900,950,1000,1050,1100,1150,1200,1250,1300,1350,1400,1450,1500,1550,1600,1650,1700,1750,1800,1850,1900,1950,2000,2050,2100,2150,2200''-247.94594426,-247.97870201,-248.04208685,-248.09807428,-248.14336409,-248.16457496,-248.17832956,-248.18306314,-248.18368041,-248.18541005,-248.18761426,-248.19132471,-248.19523934,-248.1980424,-248.2005613,-248.20288034,-248.20441274,-248.20507788,-248.20536561,-248.20552584,-248.20568689,-248.20584969,-248.20618549,-248.20672645,-248.20739493,-248.20785894,-248.20837995,-248.20898308,-248.20945083,-248.2097234,-248.20993783,-248.2101062,-248.210211,-248.21024291,-248.21029624'
/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-559383_PBEBO'https://www.materialsproject.org/materials/mp-559383''/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-559383_PBEBO'JARVIS-ID'JARVIS-ID'JARVIS-DFT-VASP'JARVIS-DFT-VASP'bulk'bulk'"11.980872691067447,13.463807534762461,14.554808582965617,16.087455737798937,19.679790917809136,19.84263611198408,21.36070705352369,23.157846731763296,24.09527928498924,24.53598562025818,27.118112191397273,27.12134358923106,27.31500162989606,27.695079466608227,28.477778570891616,28.994220237222386,29.039273510158758,32.47104107568799,33.180483974949055,33.37877671055558,33.46261320199196,36.21682094692186,37.200185276253556,38.46127834968601,40.31369065652338,40.43089118452787,41.58951885627917,41.741799837760155,43.11085967429375,43.51257266441485,44.486349688536826,44.66987738579467,45.323007307263566,47.1180686700214,48.42324920090643,49.156748587961005,50.29741391991671,50.69240345963199,55.23345263246492,55.98814294806067,56.13448123066816,57.088074888983215,58.03343180724011,70.02103168922145""7.386947450301142,6.576483456191686,6.085885773613704,5.509372225062686,4.511058097741854,4.4744028187315035,4.159722491016051,3.8408198246473613,3.693473725150571,3.6281226902171424,3.288241728095843,3.2878572890327527,3.2649855109019983,3.2210359280887784,3.134262781979929,3.0796004857777217,3.074925088775603,2.757358857392652,2.7000073196285146,2.684419628476323,2.677885689438,2.4803102696672092,2.4169738075700504,2.34057817520801,2.2372014093657517,2.230986435674599,2.1714743857685135,2.163904097134779,2.098305773075366,2.0798612455080256,2.0365703333052525,2.0286285912045674,2.0009026382994164,1.9287767486130407,1.8797971352945007,1.8534511803846039,1.8140613451085712,1.8008499382554817,1.6630614678845497,1.6424212196515136,1.6384863111075174,1.6133633778374796,1.5893135334101636,1.3437058185351154""0.5893014327017164,0.6207874855544362,3.2692400095677616,4.98594356105806,2.2451600735885195,1.7902763162469513,3.948608183393125,2.186782147872869,2.8072059250699657,1.5577927701763497,1.0822256799375742,0.9447543043329019,0.9011111221357403,6.070525194658602,4.73570070901508,6.894401215309797,1.7365574526640524,2.269472411392159,0.8041655732506732,1.1556244741922825,0.6084758499300552,1.2735064752135241,0.9848876506069312,1.0942311990433091,0.5761953561648511,0.9408075672124558,0.9522209181997149,0.9045237197371231,0.7582931424990966,1.1608246978181667,1.6400805610287876,0.8367257702672253,0.8189693476128146,0.7035005174939141,0.5899510090130489,0.6221309135582157,0.5398899241730198,1.3609573573539564,0.655238147188881,1.173839477061291,0.5003580504112435,0.7021084889016517,0.7785522257952416,0.7020702702403966"JVASP-24308"DFT-SCF,JVASP-24308.zip,https://ndownloader.figshare.com/files/23287610;""JVASP-24308"RbLuP2O7"RbLuP2O7"Rb,Lu,P,O"Rb,Lu,P,O"4OptB88vdW"OptB88vdW"-2.84118-5.65157142/mP2_1/cmonoclinic7.6510.748.6290.0105.1490.07.6510.748.6290.0105.1490.044444.221"n;a""Rb,1.946,5.431,0.018,0.0,7.395;Rb,1.946,5.431,0.018,0.0,7.395;Rb,1.946,5.431,0.018,0.0,7.395;Rb,1.946,5.431,0.018,0.0,7.395;Lu,0.353,6.824,1.053,0.0,8.230;Lu,0.353,6.824,1.053,0.0,8.230;Lu,0.353,6.824,1.053,0.0,8.230;Lu,0.353,6.824,1.053,0.0,8.230;P,0.895,1.482,0.000,0.0,2.377;P,0.895,1.486,0.000,0.0,2.381;P,0.895,1.482,0.000,0.0,2.377;P,0.895,1.482,0.000,0.0,2.377;P,0.895,1.486,0.000,0.0,2.381;P,0.895,1.482,0.000,0.0,2.377;P,0.895,1.486,0.000,0.0,2.381;P,0.895,1.486,0.000,0.0,2.381;O,1.565,3.626,0.000,0.0,5.191;O,1.565,3.625,0.000,0.0,5.190;O,1.566,3.646,0.000,0.0,5.212;O,1.565,3.627,0.000,0.0,5.192;O,1.565,3.627,0.000,0.0,5.192;O,1.561,3.661,0.000,0.0,5.222;O,1.566,3.622,0.000,0.0,5.188;O,1.561,3.661,0.000,0.0,5.222;O,1.565,3.625,0.000,0.0,5.190;O,1.566,3.646,0.000,0.0,5.212;O,1.564,3.630,0.000,0.0,5.194;O,1.565,3.626,0.000,0.0,5.191;O,1.565,3.626,0.000,0.0,5.191;O,1.561,3.661,0.000,0.0,5.222;O,1.564,3.630,0.000,0.0,5.194;O,1.565,3.626,0.000,0.0,5.191;O,1.566,3.622,0.000,0.0,5.188;O,1.566,3.622,0.000,0.0,5.188;O,1.566,3.622,0.000,0.0,5.188;O,1.564,3.630,0.000,0.0,5.194;O,1.565,3.627,0.000,0.0,5.192;O,1.565,3.625,0.000,0.0,5.190;O,1.561,3.661,0.000,0.0,5.222;O,1.566,3.646,0.000,0.0,5.212;O,1.564,3.630,0.000,0.0,5.194;O,1.565,3.627,0.000,0.0,5.192;O,1.565,3.625,0.000,0.0,5.190;O,1.566,3.646,0.000,0.0,5.212"683.6120.536"176\n0.0 15.30568 0.0 10.73753 0.0 0.0 0.0 -4.50324 -16.63844\nRb -1.9723 -3.5611 -7.8731\nRb -1.9723 -5.8127 -16.1923\nRb -1.9723 4.0917 -7.8731\nRb -1.9723 1.8401 -16.1923\nRb -3.3965 -2.4353 -3.7135\nRb -3.3965 -4.6869 -12.0327\nRb -3.3965 5.2175 -3.7135\nRb -3.3965 2.9659 -12.0327\nRb 3.3965 -7.4692 -4.6057\nRb 3.3965 -9.7208 -12.925\nRb 3.3965 0.1837 -4.6057\nRb 3.3965 -2.0679 -12.925\nRb 1.9723 -6.3434 -0.4461\nRb 1.9723 -8.595 -8.7654\nRb 1.9723 1.3095 -0.4461\nRb 1.9723 -0.9421 -8.7654\nLu 4.3267 -3.4586 -6.1906\nLu 4.3267 -5.7102 -14.5098\nLu 4.3267 4.1943 -6.1906\nLu 4.3267 1.9427 -14.5098\nLu -4.3267 -6.4459 -2.1287\nLu -4.3267 -8.6975 -10.4479\nLu -4.3267 1.2069 -2.1287\nLu -4.3267 -1.0447 -10.4479\nLu -1.0421 -7.5717 -6.2883\nLu -1.0421 -9.8233 -14.6075\nLu -1.0421 0.0811 -6.2883\nLu -1.0421 -2.1705 -14.6075\nLu 1.0421 -2.3327 -2.031\nLu 1.0421 -4.5844 -10.3502\nLu 1.0421 5.3201 -2.031\nLu 1.0421 3.0685 -10.3502\nP -3.8697 -5.8176 -5.7146\nP -3.8697 -8.0693 -14.0339\nP -3.8697 1.8352 -5.7146\nP -3.8697 -0.4164 -14.0339\nP 4.3239 -1.4373 -1.4792\nP 4.3239 -3.6889 -9.7984\nP 4.3239 6.2156 -1.4792\nP 4.3239 3.964 -9.7984\nP 3.8697 -4.0868 -2.6046\nP 3.8697 -6.3384 -10.9238\nP 3.8697 3.566 -2.6046\nP 3.8697 1.3144 -10.9238\nP -1.4991 -4.6918 -1.555\nP -1.4991 -6.9435 -9.8742\nP -1.4991 2.961 -1.555\nP -1.4991 0.7094 -9.8742\nP 1.0449 -2.5631 -5.6388\nP 1.0449 -4.8147 -13.9581\nP 1.0449 5.0898 -5.6388\nP 1.0449 2.8381 -13.9581\nP 1.4991 -5.2126 -6.7642\nP 1.4991 -7.4642 -15.0834\nP 1.4991 2.4402 -6.7642\nP 1.4991 0.1886 -15.0834\nP -4.3239 -8.4672 -6.84\nP -4.3239 -10.7188 -15.1592\nP -4.3239 -0.8144 -6.84\nP -4.3239 -3.066 -15.1592\nP -1.0449 -7.3414 -2.6804\nP -1.0449 -9.593 -10.9996\nP -1.0449 0.3115 -2.6804\nP -1.0449 -1.9402 -10.9996\nO -0.0253 -1.8606 -6.4814\nO -0.0253 -4.1122 -14.8006\nO -0.0253 5.7922 -6.4814\nO -0.0253 3.5406 -14.8006\nO -2.9231 -8.7332 -6.2734\nO -2.9231 -10.9849 -14.5927\nO -2.9231 -1.0804 -6.2734\nO -2.9231 -3.332 -14.5927\nO 4.4204 -1.1121 -0.0072\nO 4.4204 -3.3637 -8.3264\nO 4.4204 6.5407 -0.0072\nO 4.4204 4.2891 -8.3264\nO -0.8956 -3.334 -1.9037\nO -0.8956 -5.5856 -10.2229\nO -0.8956 4.3189 -1.9037\nO -0.8956 2.0673 -10.2229\nO -4.4732 -4.4598 -6.0633\nO -4.4732 -6.7114 -14.3825\nO -4.4732 3.1931 -6.0633\nO -4.4732 0.9414 -14.3825\nO 0.744 -4.1562 -5.7736\nO 0.744 -6.4078 -14.0928\nO 0.744 3.4967 -5.7736\nO 0.744 1.2451 -14.0928\nO -2.9854 -4.7217 -1.9104\nO -2.9854 -6.9733 -10.2297\nO -2.9854 2.9311 -1.9104\nO -2.9854 0.6795 -10.2297\nO -4.6248 -6.8741 -6.7053\nO -4.6248 -9.1257 -15.0245\nO -4.6248 0.7787 -6.7053\nO -4.6248 -1.4729 -15.0245\nO -2.4457 -7.6074 -2.1138\nO -2.4457 -9.8591 -10.4331\nO -2.4457 0.0454 -2.1138\nO -2.4457 -2.2062 -10.4331\nO -4.4204 -8.7924 -8.312\nO -4.4204 -11.044 -16.6313\nO -4.4204 -1.1395 -8.312\nO -4.4204 -3.3911 -16.6313\nO 4.1907 -3.628 -4.0207\nO 4.1907 -5.8796 -12.3399\nO 4.1907 4.0248 -4.0207\nO 4.1907 1.7732 -12.3399\nO 5.3435 -9.1697 -5.9974\nO 5.3435 -11.4213 -14.3167\nO 5.3435 -1.5168 -5.9974\nO 5.3435 -3.7685 -14.3167\nO -5.3435 -0.7348 -2.3218\nO -5.3435 -2.9864 -10.641\nO -5.3435 6.9181 -2.3218\nO -5.3435 4.6664 -10.641\nO -0.744 -5.7483 -2.5456\nO -0.744 -7.9999 -10.8649\nO -0.744 1.9045 -2.5456\nO -0.744 -0.3471 -10.8649\nO -4.1907 -6.2765 -4.2985\nO -4.1907 -8.5281 -12.6178\nO -4.1907 1.3764 -4.2985\nO -4.1907 -0.8752 -12.6178\nO 0.0253 -8.0439 -1.8378\nO 0.0253 -10.2955 -10.1571\nO 0.0253 -0.391 -1.8378\nO 0.0253 -2.6426 -10.1571\nO -2.3834 -5.8475 -6.0701\nO -2.3834 -8.0991 -14.3893\nO -2.3834 1.8053 -6.0701\nO -2.3834 -0.4463 -14.3893\nO 2.3834 -4.0569 -2.2492\nO 2.3834 -6.3086 -10.5684\nO 2.3834 3.5959 -2.2492\nO 2.3834 1.3443 -10.5684\nO 2.9854 -5.1828 -6.4088\nO 2.9854 -7.4344 -14.728\nO 2.9854 2.4701 -6.4088\nO 2.9854 0.2185 -14.728\nO -1.178 -5.1506 -0.1389\nO -1.178 -7.4023 -8.4581\nO -1.178 2.5022 -0.1389\nO -1.178 0.2506 -8.4581\nO 4.4732 -5.4447 -2.2559\nO 4.4732 -7.6963 -10.5751\nO 4.4732 2.2082 -2.2559\nO 4.4732 -0.0435 -10.5751\nO 2.9231 -1.1712 -2.0458\nO 2.9231 -3.4228 -10.365\nO 2.9231 6.4816 -2.0458\nO 2.9231 4.23 -10.365\nO 4.6248 -3.0303 -1.614\nO 4.6248 -5.282 -9.9332\nO 4.6248 4.6225 -1.614\nO 4.6248 2.3709 -9.9332\nO 0.9484 -2.2379 -4.1668\nO 0.9484 -4.4895 -12.486\nO 0.9484 5.4149 -4.1668\nO 0.9484 3.1633 -12.486\nO 1.178 -4.7538 -8.1803\nO 1.178 -7.0054 -16.4995\nO 1.178 2.899 -8.1803\nO 1.178 0.6474 -16.4995\nO 0.8956 -6.5705 -6.4155\nO 0.8956 -8.8221 -14.7347\nO 0.8956 1.0823 -6.4155\nO 0.8956 -1.1693 -14.7347\nO 2.4457 -2.297 -6.2054\nO 2.4457 -4.5486 -14.5246\nO 2.4457 5.3558 -6.2054\nO 2.4457 3.1042 -14.5246\nO -0.9484 -7.6666 -4.1524\nO -0.9484 -9.9182 -12.4717\nO -0.9484 -0.0137 -4.1524\nO -0.9484 -2.2653 -12.4717\n""Rb6Lu6P32O2\n1.0\n0.0 15.30568 0.0\n10.73753 0.0 0.0\n0.0 -4.50324 -16.63844\nRb Lu P O\n16 16 32 112\nCartesian\n-7.341043891738737 -1.309483502602594 0.44613012057406015\n-3.396486108261262 1.3094835026025944 -0.4461301205740602\n-3.396486108261262 3.5611035026025943 7.873089879425939\n-3.396486108261262 -6.343356497397406 -0.4461301205740602\n-3.396486108261262 -4.091736497397406 7.873089879425939\n-1.9722788917387375 2.435293502602594 3.7134798794259396\n-1.9722788917387375 -7.469166497397406 -4.60574012057406\n-1.9722788917387375 -5.217546497397406 3.7134798794259396\n-1.9722788917387375 0.18367350260259396 -4.60574012057406\n-8.765251108261262 7.469166497397406 4.60574012057406\n-8.765251108261262 -2.435293502602594 -3.7134798794259396\n-8.765251108261262 -0.1836735026025939 4.60574012057406\n-7.341043891738737 4.091736497397406 -7.873089879425939\n-7.341043891738737 6.343356497397407 0.44613012057406015\n-7.341043891738737 -3.561103502602594 -7.873089879425939\n-8.765251108261262 5.217546497397406 -3.7134798794259396\n-6.410869058018228 -7.571715260321075 -6.288266514748827\n-4.326660941981771 5.320095260321075 -2.030953485251173\n-4.326660941981771 7.571715260321075 6.288266514748827\n-4.326660941981771 -2.3327447396789247 -2.030953485251173\n-4.326660941981771 -0.08112473967892496 6.288266514748827\n-6.410869058018228 0.0811247396789252 -6.288266514748827\n-6.410869058018228 2.332744739678925 2.030953485251173\n-6.410869058018228 -5.320095260321075 2.030953485251173\n-9.695425941981771 1.2069347396789247 -2.128656514748827\n-9.695425941981771 3.4585547396789247 6.190563485251173\n-9.695425941981771 -6.445905260321076 -2.128656514748827\n-9.695425941981771 -4.194285260321076 6.190563485251173\n-1.0421040580182281 4.194285260321076 -6.190563485251173\n-1.0421040580182281 6.445905260321076 2.128656514748827\n-1.0421040580182281 -3.4585547396789247 -6.190563485251173\n-1.0421040580182281 -1.206934739678925 2.128656514748827\n-4.323908617231458 7.3413801918834585 2.6803850036011725\n-4.323908617231458 5.0897601918834585 -5.638834996398828\n-3.8696549290047293 -2.961006313926297 1.5550250685169709\n-3.8696549290047293 -5.212626313926297 -6.764194931483029\n-3.8696549290047293 4.6918336860737035 1.5550250685169709\n-3.8696549290047293 2.440213686073703 -6.764194931483029\n-6.413621382768541 -5.0897601918834585 5.6388349963988285\n-9.692673617231458 -8.467190191883457 -6.839995003601171\n-9.692673617231458 1.4372698081165423 1.4792249963988284\n-4.323908617231458 -2.563079808116542 -5.638834996398828\n-6.413621382768541 -7.3413801918834585 -2.680385003601171\n-6.413621382768541 2.563079808116542 5.6388349963988285\n-6.413621382768541 0.31145980811654184 -2.680385003601171\n-9.692673617231458 -6.215570191883458 1.4792249963988284\n-4.323908617231458 -0.3114598081165418 2.6803850036011725\n-9.692673617231458 -0.8143501918834577 -6.839995003601171\n-6.86787507099527 5.212626313926298 6.764194931483028\n-6.86787507099527 2.9610063139262977 -1.5550250685169713\n-9.23841992900473 -3.5660236860737027 2.604584931483029\n-9.23841992900473 -5.817643686073703 -5.714635068516971\n-9.23841992900473 1.8351963139262977 -5.714635068516971\n-1.044856382768541 0.8143501918834579 6.839995003601171\n-1.044856382768541 -1.437269808116542 -1.4792249963988287\n-1.044856382768541 8.467190191883459 6.839995003601171\n-9.23841992900473 4.086816313926297 2.604584931483029\n-1.4991100709952703 -1.835196313926297 5.714635068516971\n-1.4991100709952703 -4.086816313926297 -2.6045849314830285\n-1.4991100709952703 5.817643686073703 5.714635068516971\n-1.4991100709952703 3.566023686073703 -2.6045849314830285\n-6.86787507099527 -2.4402136860737027 6.764194931483028\n-1.044856382768541 6.215570191883458 -1.4792249963988287\n-6.86787507099527 -4.691833686073703 -1.5550250685169713\n-2.383351777610761 -2.9311395332359846 1.910445530727399\n-2.383351777610761 -5.182759533235984 -6.4087744692726005\n-2.383351777610761 4.721700466764016 1.910445530727399\n-2.383351777610761 2.4700804667640157 -6.4087744692726005\n-6.546787922917929 4.753812869693803 8.180296690543202\n-6.546787922917929 -5.150647130306197 -0.1389233094567981\n-6.546787922917929 2.502192869693803 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2.321774953279392\n-0.025304028322963378 -9.169675932013165 -5.997445046720608\n-0.025304028322963378 -6.918055932013165 2.321774953279392\n-1.178022922917929 4.024837130306198 -4.020686690543202\n-1.178022922917929 6.276457130306197 4.298533309456798\n-1.178022922917929 -3.628002869693803 -4.020686690543202\n-1.178022922917929 -1.3763828696938032 4.298533309456798\n-9.789132017322615 -1.1395227869472055 -8.312040505423722\n-9.789132017322615 1.1120972130527944 0.007179494576277173\n-9.789132017322615 -8.792362786947205 -8.312040505423722\n-9.789132017322615 -6.540742786947206 0.007179494576277173\n-7.814443156574783 0.045400928064420754 -2.1138380706653566\n-7.814443156574783 2.2970209280644207 6.205381929334643\n-7.814443156574783 -7.6074390719355796 -2.1138380706653566\n-7.814443156574783 -5.35581907193558 6.205381929334643\n-9.99355336567468 0.7787224755217874 -6.705251573417073\n-9.99355336567468 3.0303424755217874 1.613968426582927\n-9.99355336567468 -6.874117524478213 -6.705251573417073\n-9.99355336567468 -4.622497524478213 1.613968426582927\n-6.112741634325318 4.156152475521788 5.773578426582927\n-6.317162982677385 -0.013712786947206013 -4.152430505423722\n""Rb4Lu4P8O28\n1.0\n0.0 7.652819396502423 -0.0176498446526423\n10.73752809790599 0.0 0.0\n0.0 -2.2708029168345316 -8.314006414652951\nRb Lu P O\n4 4 8 28\nCartesian\n7.341043891738737 1.3084512097808434 -0.44914931364181315\n8.765251108261262 0.17305120978084162 -4.60615431364182\n1.9722788917387344 5.208968790219158 -3.7255056863581917\n3.3964861082612634 4.073568790219162 -7.88251068635818\n1.0421040580182281 1.2020224524179748 -2.1314357552313754\n9.69542594198177 4.179997547582031 -6.200224244768624\n6.41086905801823 5.31539754758203 -2.0432192447686237\n4.326660941981773 0.06662245241797478 -6.288440755231376\n6.413621382768535 5.076742541724812 -5.650562147948181\n3.8696549290047275 2.9574123582432517 -1.561850955883828\n4.323908617231458 0.30527745827518504 -2.681097852051821\n9.692673617231465 6.212142541724812 -1.4935571479481822\n1.499110070995271 1.8220123582432526 -5.718855955883825\n1.044856382768541 -0.8301225417248136 -6.838102852051819\n9.23841992900473 3.560007641756749 -2.6128040441161726\n6.86787507099527 2.4246076417567486 -6.769809044116174\n5.34346097167703 5.777283347210749 -6.494730547999645\n7.752116777610761 3.5906940193027026 -2.257453191532283\n2.9854132223892296 1.791325980697299 -6.074206808467709\n2.3833517776107667 2.9267259806972965 -1.917201808467718\n6.546787922917922 2.880154056152731 -8.186966083830756\n2.4456781565747767 -1.0948741491612461 -6.27094345730373\n0.743976634325321 0.7632567092362217 -6.7070338540311445\n4.42036701732261 -0.02328913587589977 -4.152390386980904\n4.190742077082067 2.5018659438472644 -0.14469391616923574\n4.47319124992619 4.314475097324097 -1.9136646350694648\n9.559507077082078 4.0155540561527285 -4.029961083830765\n0.8955737500738096 3.179075097324098 -6.070669635069459\n6.112741634325311 3.483363290763782 -5.781631145968855\n4.624788365674681 1.89865670923622 -2.5500288540311504\n0.02530402832296964 6.912683347210747 -2.337725547999653\n1.1780229229179293 1.3664659438472622 -4.3016989161692445\n9.789132017322629 6.540709135875898 -0.022264613019097854\n7.814443156574783 5.34149414916124 -6.217721542696269\n9.993553365674687 4.618763290763783 -1.6246261459688502\n8.354178222389239 2.4552940193027 -6.41445819153229\n2.923086843425222 0.040525850838752715 -2.113938457303734\n9.841956249926191 2.2029449026758985 -2.2609903649305356\n6.264338750073808 1.0675449026758972 -6.41799536493054\n0.9483979826773862 -1.1586891358758995 -8.309395386980903\n8.291851843425215 6.476894149161241 -2.060716542696264\n5.3940690283229635 -0.3952633472107418 -1.8369294520003467\n-0.02530402832296642 -1.5306633472107438 -5.993934452000354\n6.317162982677371 5.405309135875898 -4.1792696130190965\n""CIF file written using JARVIS-Tools package.\ndata_RbLuP2O7\n_symmetry_space_group_name_H-M 'P2_1/c'\n_cell_length_a 7.65284\n_cell_length_b 10.7375\n_cell_length_c 8.61854\n_cell_angle_alpha 90\n_cell_angle_beta 105.144\n_cell_angle_gamma 90\n\n_symmetry_Int_Tables_number 14\n_chemical_formula_structural RbLuP2O7\n_chemical_formula_sum Rb4Lu4P8O28\n_cell_volume 683.6119083788572\n_cell_formula_units_Z 4\nloop_\n _symmetry_equiv_pos_site_id\n _symmetry_equiv_pos_as_xyz\n 1 'x, y, z'\nloop_\n _atom_site_type_symbol\n _atom_site_label\n _atom_site_symmetry_multiplicity\n _atom_site_fract_x\n _atom_site_fract_y\n _atom_site_fract_z\n _atom_site_fract_occupancy\n Lu Lu1 1 0.23299 0.09705 0.25587 1\n Lu Lu2 1 0.76701 0.90295 0.74413 1\n Lu Lu3 1 0.76701 0.59705 0.24413 1\n Lu Lu4 1 0.23299 0.40295 0.75587 1\n O O1 1 0.33890 0.43071 0.30600 1\n O O2 1 0.33188 0.10971 0.51670 1\n O O3 1 0.98610 0.00236 0.27909 1\n O O4 1 0.01390 -0.00236 0.72091 1\n O O5 1 0.66110 0.56929 0.69400 1\n O O6 1 0.66812 0.89029 0.48330 1\n O O7 1 0.98610 0.49764 0.77909 1\n O O8 1 0.54942 0.72196 0.27036 1\n O O9 1 0.45058 0.27804 0.72964 1\n O O10 1 0.66812 0.60971 0.98330 1\n O O11 1 0.85494 0.91167 0.00086 1\n O O12 1 0.63168 0.08341 0.72883 1\n O O13 1 0.08069 0.22777 0.75409 1\n O O14 1 0.33890 0.06929 0.80600 1\n O O15 1 0.14506 0.41167 0.49914 1\n O O16 1 0.33188 0.39029 0.01670 1\n O O17 1 0.63168 0.41659 0.22883 1\n O O18 1 0.45058 0.22196 0.22964 1\n O O19 1 0.91931 0.72777 0.74591 1\n O O20 1 0.85494 0.58833 0.50086 1\n O O21 1 0.54942 0.77804 0.77036 1\n O O22 1 0.08069 0.27223 0.25409 1\n O O23 1 0.36832 0.91659 0.27117 1\n O O24 1 0.36832 0.58341 0.77117 1\n O O25 1 0.14506 0.08833 0.99914 1\n O O26 1 0.91931 0.77223 0.24591 1\n O O27 1 0.01390 0.50236 0.22091 1\n O O28 1 0.66110 0.93071 0.19400 1\n P P1 1 0.55809 0.86039 0.31308 1\n P P2 1 0.13549 0.09731 0.82219 1\n P P3 1 0.44191 0.13961 0.68692 1\n P P4 1 0.44191 0.36039 0.18692 1\n P P5 1 0.13549 0.40269 0.32219 1\n P P6 1 0.86451 0.90269 0.17781 1\n P P7 1 0.86451 0.59731 0.67781 1\n P P8 1 0.55809 0.63961 0.81308 1\n Rb Rb1 1 0.81311 0.31632 0.94637 1\n Rb Rb2 1 0.81311 0.18368 0.44637 1\n Rb Rb3 1 0.18689 0.81632 0.55363 1\n Rb Rb4 1 0.18689 0.68368 0.05363 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