130035'5,15,25,35,40,45,50,55,60''-205.08905229,-205.50321405,-205.50628024,-205.50656707,-205.50672071,-205.50672072,-205.50632167,-205.50632168,-205.50635584''500,550,600,650,700,750,800,850,900,950,1000,1050,1100,1150,1200,1250,1300,1350,1400,1450,1500,1550''-205.09714086,-205.0890525,-205.1189397,-205.14314762,-205.17857059,-205.19249375,-205.20230168,-205.20739316,-205.20548246,-205.20515822,-205.20431842,-205.2054168,-205.20775517,-205.2089682,-205.21159928,-205.21273504,-205.21372902,-205.21370932,-205.21352669,-205.21312434,-205.21281095,-205.21240361'
/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-17167_PBEBO'https://www.materialsproject.org/materials/mp-17167''/rk2/knc6/JARVIS-DFT/Ehull-bulk/mp-17167_PBEBO'JARVIS-ID'JARVIS-ID'JARVIS-DFT-VASP'JARVIS-DFT-VASP'bulk'bulk'"14.466903901670106,20.514388276757526,22.966923265453453,25.193369140677262,29.171054554386068,32.70532843513086,35.92822889925105,38.91809835713116,44.38720017552459,46.92767012308385,49.36686693890319,51.719983028402545,53.999140012323224,58.37337713889101,60.483530740116635,62.550552026326464,64.57952414634768,66.57489132477833,70.48009902396349,76.17184888276198,78.03567075166104""6.12266673466575,4.329379167027448,3.8723144471379163,3.534923287417638,3.061333367332875,2.7381398044578575,2.499568227507255,2.3141505057790663,2.04088891155525,1.9361572235689581,1.846053479570616,1.767461643708819,1.6981222195703873,1.5808657531825732,1.5306666836664375,1.4849648033813216,1.4431263890091497,1.4046360821782191,1.3360754174568525,1.2497841137536274,1.22453334693315""4.940582728039871,1.952881808362013,0.6817083338247185,28.171638869728913,6.85504086048545,0.8871114081279721,0.5201645359984031,9.961299682938483,21.740641888916592,1.241534082223716,0.5487404322879131,2.6708997469274003,3.07972510363088,0.5553586799783443,0.8086489229381496,1.8319203761043292,3.035105731052692,5.7808621791078965,1.5166358075569462,1.028479891859219,1.3659859317175491"JVASP-22856"DFT-SCF,JVASP-22856.zip,https://ndownloader.figshare.com/files/23287154;""JVASP-22856"Be3Cd4Si3TeO12"Be3Cd4Si3TeO12"Be,Cd,Si,Te,O"Be,Cd,Si,Te,O"5OptB88vdW"OptB88vdW"-2.32119-4.47069218-43mP-43ncubic8.668.668.6690.090.090.08.668.668.6690.090.090.046464.504"n;a""Be,2.324,0.665,0.000,0.0,2.989;Be,2.324,0.665,0.000,0.0,2.989;Be,2.324,0.665,0.000,0.0,2.989;Be,2.324,0.665,0.000,0.0,2.989;Be,2.324,0.665,0.000,0.0,2.989;Be,2.324,0.665,0.000,0.0,2.989;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Cd,0.357,0.268,9.629,0.0,10.254;Si,0.630,0.953,0.000,0.0,1.583;Si,0.630,0.953,0.000,0.0,1.583;Si,0.630,0.953,0.000,0.0,1.583;Si,0.630,0.953,0.000,0.0,1.583;Si,0.630,0.953,0.000,0.0,1.583;Si,0.630,0.953,0.000,0.0,1.583;Te,1.373,2.111,0.019,0.0,3.503;Te,1.373,2.111,0.019,0.0,3.503;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.614,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.167;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.616,0.000,0.0,5.167;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166;O,1.551,3.615,0.000,0.0,5.166"649.2390.357"368\n17.31802 0.0 0.0 0.0 17.31802 0.0 0.0 0.0 17.31802\nBe -6.0237 -3.8589 0.4706\nBe -6.0237 -3.8589 9.1296\nBe -6.0237 4.8001 0.4706\nBe -6.0237 4.8001 9.1296\nBe 2.6354 -3.8589 0.4706\nBe 2.6354 -3.8589 9.1296\nBe 2.6354 4.8001 0.4706\nBe 2.6354 4.8001 9.1296\nBe -3.8589 -8.1884 6.9649\nBe -3.8589 -8.1884 15.6239\nBe -3.8589 0.4706 6.9649\nBe -3.8589 0.4706 15.6239\nBe 4.8001 -8.1884 6.9649\nBe 4.8001 -8.1884 15.6239\nBe 4.8001 0.4706 6.9649\nBe 4.8001 0.4706 15.6239\nBe -3.8589 -8.1884 2.6354\nBe -3.8589 -8.1884 11.2944\nBe -3.8589 0.4706 2.6354\nBe -3.8589 0.4706 11.2944\nBe 4.8001 -8.1884 2.6354\nBe 4.8001 -8.1884 11.2944\nBe 4.8001 0.4706 2.6354\nBe 4.8001 0.4706 11.2944\nBe -8.1884 -6.0237 4.8001\nBe -8.1884 -6.0237 13.4591\nBe -8.1884 2.6354 4.8001\nBe -8.1884 2.6354 13.4591\nBe 0.4706 -6.0237 4.8001\nBe 0.4706 -6.0237 13.4591\nBe 0.4706 2.6354 4.8001\nBe 0.4706 2.6354 13.4591\nBe -8.1884 -1.6942 4.8001\nBe -8.1884 -1.6942 13.4591\nBe -8.1884 6.9649 4.8001\nBe -8.1884 6.9649 13.4591\nBe 0.4706 -1.6942 4.8001\nBe 0.4706 -1.6942 13.4591\nBe 0.4706 6.9649 4.8001\nBe 0.4706 6.9649 13.4591\nBe -1.6942 -3.8589 0.4706\nBe -1.6942 -3.8589 9.1296\nBe -1.6942 4.8001 0.4706\nBe -1.6942 4.8001 9.1296\nBe 6.9649 -3.8589 0.4706\nBe 6.9649 -3.8589 9.1296\nBe 6.9649 4.8001 0.4706\nBe 6.9649 4.8001 9.1296\nCd -6.5946 -6.5946 2.0644\nCd -6.5946 -6.5946 10.7234\nCd -6.5946 2.0644 2.0644\nCd -6.5946 2.0644 10.7234\nCd 2.0644 -6.5946 2.0644\nCd 2.0644 -6.5946 10.7234\nCd 2.0644 2.0644 2.0644\nCd 2.0644 2.0644 10.7234\nCd -5.4527 -2.2651 3.2063\nCd -5.4527 -2.2651 11.8653\nCd -5.4527 6.3939 3.2063\nCd -5.4527 6.3939 11.8653\nCd 3.2063 -2.2651 3.2063\nCd 3.2063 -2.2651 11.8653\nCd 3.2063 6.3939 3.2063\nCd 3.2063 6.3939 11.8653\nCd -5.4527 -5.4527 6.3939\nCd -5.4527 -5.4527 15.0529\nCd -5.4527 3.2063 6.3939\nCd -5.4527 3.2063 15.0529\nCd 3.2063 -5.4527 6.3939\nCd 3.2063 -5.4527 15.0529\nCd 3.2063 3.2063 6.3939\nCd 3.2063 3.2063 15.0529\nCd -2.2651 -5.4527 3.2063\nCd -2.2651 -5.4527 11.8653\nCd -2.2651 3.2063 3.2063\nCd -2.2651 3.2063 11.8653\nCd 6.3939 -5.4527 3.2063\nCd 6.3939 -5.4527 11.8653\nCd 6.3939 3.2063 3.2063\nCd 6.3939 3.2063 11.8653\nCd -1.1232 -1.1232 2.0644\nCd -1.1232 -1.1232 10.7234\nCd -1.1232 7.5358 2.0644\nCd -1.1232 7.5358 10.7234\nCd 7.5358 -1.1232 2.0644\nCd 7.5358 -1.1232 10.7234\nCd 7.5358 7.5358 2.0644\nCd 7.5358 7.5358 10.7234\nCd -6.5946 -1.1232 7.5358\nCd -6.5946 -1.1232 16.1948\nCd -6.5946 7.5358 7.5358\nCd -6.5946 7.5358 16.1948\nCd 2.0644 -1.1232 7.5358\nCd 2.0644 -1.1232 16.1948\nCd 2.0644 7.5358 7.5358\nCd 2.0644 7.5358 16.1948\nCd -1.1232 -6.5946 7.5358\nCd -1.1232 -6.5946 16.1948\nCd -1.1232 2.0644 7.5358\nCd -1.1232 2.0644 16.1948\nCd 7.5358 -6.5946 7.5358\nCd 7.5358 -6.5946 16.1948\nCd 7.5358 2.0644 7.5358\nCd 7.5358 2.0644 16.1948\nCd -2.2651 -2.2651 6.3939\nCd -2.2651 -2.2651 15.0529\nCd -2.2651 6.3939 6.3939\nCd -2.2651 6.3939 15.0529\nCd 6.3939 -2.2651 6.3939\nCd 6.3939 -2.2651 15.0529\nCd 6.3939 6.3939 6.3939\nCd 6.3939 6.3939 15.0529\nSi -1.6942 -8.1884 4.8001\nSi -1.6942 -8.1884 13.4591\nSi -1.6942 0.4706 4.8001\nSi -1.6942 0.4706 13.4591\nSi 6.9649 -8.1884 4.8001\nSi 6.9649 -8.1884 13.4591\nSi 6.9649 0.4706 4.8001\nSi 6.9649 0.4706 13.4591\nSi -3.8589 -1.6942 0.4706\nSi -3.8589 -1.6942 9.1296\nSi -3.8589 6.9649 0.4706\nSi -3.8589 6.9649 9.1296\nSi 4.8001 -1.6942 0.4706\nSi 4.8001 -1.6942 9.1296\nSi 4.8001 6.9649 0.4706\nSi 4.8001 6.9649 9.1296\nSi -3.8589 -6.0237 0.4706\nSi -3.8589 -6.0237 9.1296\nSi -3.8589 2.6354 0.4706\nSi -3.8589 2.6354 9.1296\nSi 4.8001 -6.0237 0.4706\nSi 4.8001 -6.0237 9.1296\nSi 4.8001 2.6354 0.4706\nSi 4.8001 2.6354 9.1296\nSi -8.1884 -3.8589 2.6354\nSi -8.1884 -3.8589 11.2944\nSi -8.1884 4.8001 2.6354\nSi -8.1884 4.8001 11.2944\nSi 0.4706 -3.8589 2.6354\nSi 0.4706 -3.8589 11.2944\nSi 0.4706 4.8001 2.6354\nSi 0.4706 4.8001 11.2944\nSi -8.1884 -3.8589 6.9649\nSi -8.1884 -3.8589 15.6239\nSi -8.1884 4.8001 6.9649\nSi -8.1884 4.8001 15.6239\nSi 0.4706 -3.8589 6.9649\nSi 0.4706 -3.8589 15.6239\nSi 0.4706 4.8001 6.9649\nSi 0.4706 4.8001 15.6239\nSi -6.0237 -8.1884 4.8001\nSi -6.0237 -8.1884 13.4591\nSi -6.0237 0.4706 4.8001\nSi -6.0237 0.4706 13.4591\nSi 2.6354 -8.1884 4.8001\nSi 2.6354 -8.1884 13.4591\nSi 2.6354 0.4706 4.8001\nSi 2.6354 0.4706 13.4591\nTe -8.1884 -8.1884 0.4706\nTe -8.1884 -8.1884 9.1296\nTe -8.1884 0.4706 0.4706\nTe -8.1884 0.4706 9.1296\nTe 0.4706 -8.1884 0.4706\nTe 0.4706 -8.1884 9.1296\nTe 0.4706 0.4706 0.4706\nTe 0.4706 0.4706 9.1296\nTe -3.8589 -3.8589 4.8001\nTe -3.8589 -3.8589 13.4591\nTe -3.8589 4.8001 4.8001\nTe -3.8589 4.8001 13.4591\nTe 4.8001 -3.8589 4.8001\nTe 4.8001 -3.8589 13.4591\nTe 4.8001 4.8001 4.8001\nTe 4.8001 4.8001 13.4591\nO -0.7925 -4.4105 7.8676\nO -0.7925 -4.4105 16.5266\nO -0.7925 4.2485 7.8676\nO -0.7925 4.2485 16.5266\nO 7.8665 -4.4105 7.8676\nO 7.8665 -4.4105 16.5266\nO 7.8665 4.2485 7.8676\nO 7.8665 4.2485 16.5266\nO -0.7925 -3.3073 1.7326\nO -0.7925 -3.3073 10.3916\nO -0.7925 5.3517 1.7326\nO -0.7925 5.3517 10.3916\nO 7.8665 -3.3073 1.7326\nO 7.8665 -3.3073 10.3916\nO 7.8665 5.3517 1.7326\nO 7.8665 5.3517 10.3916\nO -4.4105 -0.7914 7.8665\nO -4.4105 -0.7914 16.5255\nO -4.4105 7.8676 7.8665\nO -4.4105 7.8676 16.5255\nO 4.2485 -0.7914 7.8665\nO 4.2485 -0.7914 16.5255\nO 4.2485 7.8676 7.8665\nO 4.2485 7.8676 16.5255\nO -3.3073 -0.7914 1.7337\nO -3.3073 -0.7914 10.3927\nO -3.3073 7.8676 1.7337\nO -3.3073 7.8676 10.3927\nO 5.3517 -0.7914 1.7337\nO 5.3517 -0.7914 10.3927\nO 5.3517 7.8676 1.7337\nO 5.3517 7.8676 10.3927\nO -0.7914 -0.7925 4.2485\nO -0.7914 -0.7925 12.9075\nO -0.7914 7.8665 4.2485\nO -0.7914 7.8665 12.9075\nO 7.8676 -0.7925 4.2485\nO 7.8676 -0.7925 12.9075\nO 7.8676 7.8665 4.2485\nO 7.8676 7.8665 12.9075\nO -6.9264 -6.9253 4.2485\nO -6.9264 -6.9253 12.9075\nO -6.9264 1.7337 4.2485\nO -6.9264 1.7337 12.9075\nO 1.7326 -6.9253 4.2485\nO 1.7326 -6.9253 12.9075\nO 1.7326 1.7337 4.2485\nO 1.7326 1.7337 12.9075\nO -5.122 -5.1209 8.578\nO -5.122 -5.1209 17.237\nO -5.122 3.5381 8.578\nO -5.122 3.5381 17.237\nO 3.537 -5.1209 8.578\nO 3.537 -5.1209 17.237\nO 3.537 3.5381 8.578\nO 3.537 3.5381 17.237\nO -6.9253 -4.4105 1.7326\nO -6.9253 -4.4105 10.3916\nO -6.9253 4.2485 1.7326\nO -6.9253 4.2485 10.3916\nO 1.7337 -4.4105 1.7326\nO 1.7337 -4.4105 10.3916\nO 1.7337 4.2485 1.7326\nO 1.7337 4.2485 10.3916\nO -6.9253 -3.3073 7.8676\nO -6.9253 -3.3073 16.5266\nO -6.9253 5.3517 7.8676\nO -6.9253 5.3517 16.5266\nO 1.7337 -3.3073 7.8676\nO 1.7337 -3.3073 16.5266\nO 1.7337 5.3517 7.8676\nO 1.7337 5.3517 16.5266\nO -3.3073 -6.9264 7.8665\nO -3.3073 -6.9264 16.5255\nO -3.3073 1.7326 7.8665\nO -3.3073 1.7326 16.5255\nO 5.3517 -6.9264 7.8665\nO 5.3517 -6.9264 16.5255\nO 5.3517 1.7326 7.8665\nO 5.3517 1.7326 16.5255\nO -4.4105 -6.9264 1.7337\nO -4.4105 -6.9264 10.3927\nO -4.4105 1.7326 1.7337\nO -4.4105 1.7326 10.3927\nO 4.2485 -6.9264 1.7337\nO 4.2485 -6.9264 10.3927\nO 4.2485 1.7326 1.7337\nO 4.2485 1.7326 10.3927\nO -0.7914 -6.9253 5.3517\nO -0.7914 -6.9253 14.0107\nO -0.7914 1.7337 5.3517\nO -0.7914 1.7337 14.0107\nO 7.8676 -6.9253 5.3517\nO 7.8676 -6.9253 14.0107\nO 7.8676 1.7337 5.3517\nO 7.8676 1.7337 14.0107\nO -6.9264 -0.7925 5.3517\nO -6.9264 -0.7925 14.0107\nO -6.9264 7.8665 5.3517\nO -6.9264 7.8665 14.0107\nO 1.7326 -0.7925 5.3517\nO 1.7326 -0.7925 14.0107\nO 1.7326 7.8665 5.3517\nO 1.7326 7.8665 14.0107\nO -0.081 -5.122 3.5381\nO -0.081 -5.122 12.1971\nO -0.081 3.537 3.5381\nO -0.081 3.537 12.1971\nO 8.578 -5.122 3.5381\nO 8.578 -5.122 12.1971\nO 8.578 3.537 3.5381\nO 8.578 3.537 12.1971\nO -5.1209 -0.081 3.537\nO -5.1209 -0.081 12.196\nO -5.1209 8.578 3.537\nO -5.1209 8.578 12.196\nO 3.5381 -0.081 3.537\nO 3.5381 -0.081 12.196\nO 3.5381 8.578 3.537\nO 3.5381 8.578 12.196\nO -2.5969 -7.6368 3.537\nO -2.5969 -7.6368 12.196\nO -2.5969 1.0222 3.537\nO -2.5969 1.0222 12.196\nO 6.0621 -7.6368 3.537\nO 6.0621 -7.6368 12.196\nO 6.0621 1.0222 3.537\nO 6.0621 1.0222 12.196\nO -0.081 -2.5958 6.0621\nO -0.081 -2.5958 14.7211\nO -0.081 6.0632 6.0621\nO -0.081 6.0632 14.7211\nO 8.578 -2.5958 6.0621\nO 8.578 -2.5958 14.7211\nO 8.578 6.0632 6.0621\nO 8.578 6.0632 14.7211\nO -2.5969 -0.081 6.0632\nO -2.5969 -0.081 14.7222\nO -2.5969 8.578 6.0632\nO -2.5969 8.578 14.7222\nO 6.0621 -0.081 6.0632\nO 6.0621 -0.081 14.7222\nO 6.0621 8.578 6.0632\nO 6.0621 8.578 14.7222\nO -7.6368 -2.5958 3.5381\nO -7.6368 -2.5958 12.1971\nO -7.6368 6.0632 3.5381\nO -7.6368 6.0632 12.1971\nO 1.0222 -2.5958 3.5381\nO 1.0222 -2.5958 12.1971\nO 1.0222 6.0632 3.5381\nO 1.0222 6.0632 12.1971\nO -7.6368 -5.122 6.0621\nO -7.6368 -5.122 14.7211\nO -7.6368 3.537 6.0621\nO -7.6368 3.537 14.7211\nO 1.0222 -5.122 6.0621\nO 1.0222 -5.122 14.7211\nO 1.0222 3.537 6.0621\nO 1.0222 3.537 14.7211\nO -5.1209 -7.6368 6.0632\nO -5.1209 -7.6368 14.7222\nO -5.1209 1.0222 6.0632\nO -5.1209 1.0222 14.7222\nO 3.5381 -7.6368 6.0632\nO 3.5381 -7.6368 14.7222\nO 3.5381 1.0222 6.0632\nO 3.5381 1.0222 14.7222\nO -5.122 -2.5969 1.0222\nO -5.122 -2.5969 9.6812\nO -5.122 6.0621 1.0222\nO -5.122 6.0621 9.6812\nO 3.537 -2.5969 1.0222\nO 3.537 -2.5969 9.6812\nO 3.537 6.0621 1.0222\nO 3.537 6.0621 9.6812\nO -2.5958 -5.1209 1.0222\nO -2.5958 -5.1209 9.6812\nO -2.5958 3.5381 1.0222\nO -2.5958 3.5381 9.6812\nO 6.0632 -5.1209 1.0222\nO 6.0632 -5.1209 9.6812\nO 6.0632 3.5381 1.0222\nO 6.0632 3.5381 9.6812\nO -2.5958 -2.5969 8.578\nO -2.5958 -2.5969 17.237\nO -2.5958 6.0621 8.578\nO -2.5958 6.0621 17.237\nO 6.0632 -2.5969 8.578\nO 6.0632 -2.5969 17.237\nO 6.0632 6.0621 8.578\nO 6.0632 6.0621 17.237\n""Be48Cd64Si48Te6O92\n1.0\n17.31802 0.0 0.0\n0.0 17.31802 0.0\n0.0 0.0 17.31802\nBe Cd Si Te O\n48 64 48 16 192\nCartesian\n2.1647525 4.329505 0.0\n0.0 10.8237625 4.329505\n0.0 10.8237625 12.988515\n8.65901 2.1647525 4.329505\n8.65901 2.1647525 12.988515\n8.65901 10.8237625 4.329505\n8.65901 10.8237625 12.988515\n0.0 6.4942575 4.329505\n0.0 6.4942575 12.988515\n0.0 15.1532675 4.329505\n0.0 15.1532675 12.988515\n8.65901 6.4942575 4.329505\n8.65901 6.4942575 12.988515\n8.65901 15.1532675 4.329505\n6.4942575 4.329505 0.0\n6.4942575 4.329505 8.65901\n6.4942575 12.988515 0.0\n6.4942575 12.988515 8.65901\n15.1532675 4.329505 0.0\n15.1532675 4.329505 8.65901\n15.1532675 12.988515 0.0\n15.1532675 12.988515 8.65901\n0.0 2.1647525 12.988515\n0.0 2.1647525 4.329505\n8.65901 15.1532675 12.988515\n12.988515 8.65901 2.1647525\n12.988515 8.65901 10.8237625\n2.1647525 4.329505 8.65901\n2.1647525 12.988515 0.0\n2.1647525 12.988515 8.65901\n10.8237625 4.329505 0.0\n10.8237625 12.988515 0.0\n10.8237625 12.988515 8.65901\n4.329505 0.0 6.4942575\n4.329505 0.0 15.1532675\n4.329505 8.65901 6.4942575\n10.8237625 4.329505 8.65901\n12.988515 0.0 6.4942575\n4.329505 8.65901 15.1532675\n12.988515 0.0 2.1647525\n4.329505 8.65901 10.8237625\n12.988515 0.0 10.8237625\n4.329505 0.0 10.8237625\n4.329505 8.65901 2.1647525\n4.329505 0.0 2.1647525\n12.988515 8.65901 15.1532675\n12.988515 8.65901 6.4942575\n12.988515 0.0 15.1532675\n10.252837861836444 15.724192138163557 7.065182138163557\n10.252837861836444 7.065182138163557 7.065182138163557\n1.5938278618364439 15.724192138163557 15.724192138163557\n1.5938278618364439 15.724192138163557 7.065182138163557\n10.252837861836444 7.065182138163557 15.724192138163557\n1.5938278618364439 7.065182138163557 15.724192138163557\n15.724192138163557 7.065182138163557 1.5938278618364439\n15.724192138163557 15.724192138163557 10.252837861836444\n15.724192138163557 15.724192138163557 1.5938278618364439\n15.724192138163557 7.065182138163557 10.252837861836444\n7.065182138163557 15.724192138163557 10.252837861836444\n10.252837861836444 15.724192138163557 15.724192138163557\n7.065182138163557 15.724192138163557 1.5938278618364439\n1.5938278618364439 7.065182138163557 7.065182138163557\n7.065182138163557 1.5938278618364439 7.065182138163557\n5.923332861836443 14.582342861836445 14.582342861836445\n7.065182138163557 10.252837861836444 7.065182138163557\n7.065182138163557 10.252837861836444 15.724192138163557\n15.724192138163557 1.5938278618364439 7.065182138163557\n15.724192138163557 1.5938278618364439 15.724192138163557\n15.724192138163557 10.252837861836444 7.065182138163557\n15.724192138163557 10.252837861836444 15.724192138163557\n5.923332861836443 5.923332861836443 5.923332861836443\n5.923332861836443 5.923332861836443 14.582342861836445\n5.923332861836443 14.582342861836445 5.923332861836443\n14.582342861836445 5.923332861836443 5.923332861836443\n14.582342861836445 5.923332861836443 14.582342861836445\n14.582342861836445 14.582342861836445 5.923332861836443\n14.582342861836445 14.582342861836445 14.582342861836445\n7.065182138163557 7.065182138163557 10.252837861836444\n7.065182138163557 1.5938278618364439 15.724192138163557\n7.065182138163557 7.065182138163557 1.5938278618364439\n2.735677138163556 11.394687138163556 14.582342861836445\n14.582342861836445 11.394687138163556 2.735677138163556\n1.5938278618364439 1.5938278618364439 1.5938278618364439\n1.5938278618364439 1.5938278618364439 10.252837861836444\n1.5938278618364439 10.252837861836444 1.5938278618364439\n14.582342861836445 11.394687138163556 11.394687138163556\n10.252837861836444 1.5938278618364439 1.5938278618364439\n10.252837861836444 1.5938278618364439 10.252837861836444\n10.252837861836444 10.252837861836444 1.5938278618364439\n10.252837861836444 10.252837861836444 10.252837861836444\n2.735677138163556 5.923332861836443 2.735677138163556\n2.735677138163556 5.923332861836443 11.394687138163556\n2.735677138163556 14.582342861836445 2.735677138163556\n2.735677138163556 14.582342861836445 11.394687138163556\n11.394687138163556 5.923332861836443 2.735677138163556\n11.394687138163556 5.923332861836443 11.394687138163556\n11.394687138163556 14.582342861836445 2.735677138163556\n1.5938278618364439 10.252837861836444 10.252837861836444\n2.735677138163556 2.735677138163556 5.923332861836443\n11.394687138163556 14.582342861836445 11.394687138163556\n14.582342861836445 2.735677138163556 11.394687138163556\n5.923332861836443 11.394687138163556 11.394687138163556\n5.923332861836443 11.394687138163556 2.735677138163556\n5.923332861836443 2.735677138163556 11.394687138163556\n5.923332861836443 2.735677138163556 2.735677138163556\n14.582342861836445 2.735677138163556 2.735677138163556\n11.394687138163556 11.394687138163556 5.923332861836443\n11.394687138163556 2.735677138163556 14.582342861836445\n11.394687138163556 2.735677138163556 5.923332861836443\n2.735677138163556 11.394687138163556 5.923332861836443\n11.394687138163556 11.394687138163556 14.582342861836445\n2.735677138163556 2.735677138163556 14.582342861836445\n0.0 12.988515 6.4942575\n0.0 4.329505 15.1532675\n0.0 4.329505 6.4942575\n8.65901 12.988515 10.8237625\n8.65901 4.329505 10.8237625\n8.65901 4.329505 2.1647525\n0.0 12.988515 10.8237625\n0.0 12.988515 15.1532675\n0.0 12.988515 2.1647525\n8.65901 12.988515 2.1647525\n8.65901 4.329505 6.4942575\n2.1647525 8.65901 12.988515\n8.65901 12.988515 6.4942575\n8.65901 12.988515 15.1532675\n2.1647525 0.0 4.329505\n2.1647525 0.0 12.988515\n2.1647525 8.65901 4.329505\n10.8237625 0.0 4.329505\n10.8237625 0.0 12.988515\n10.8237625 8.65901 4.329505\n10.8237625 8.65901 12.988515\n0.0 4.329505 10.8237625\n8.65901 4.329505 15.1532675\n0.0 4.329505 2.1647525\n12.988515 10.8237625 8.65901\n12.988515 10.8237625 0.0\n6.4942575 0.0 4.329505\n6.4942575 0.0 12.988515\n6.4942575 8.65901 4.329505\n6.4942575 8.65901 12.988515\n15.1532675 0.0 4.329505\n15.1532675 0.0 12.988515\n15.1532675 8.65901 4.329505\n4.329505 6.4942575 0.0\n4.329505 6.4942575 8.65901\n4.329505 15.1532675 0.0\n15.1532675 8.65901 12.988515\n12.988515 6.4942575 0.0\n12.988515 2.1647525 8.65901\n4.329505 15.1532675 8.65901\n4.329505 10.8237625 8.65901\n4.329505 10.8237625 0.0\n4.329505 2.1647525 8.65901\n12.988515 2.1647525 0.0\n12.988515 15.1532675 8.65901\n12.988515 15.1532675 0.0\n12.988515 6.4942575 8.65901\n4.329505 2.1647525 0.0\n4.329505 4.329505 12.988515\n12.988515 12.988515 12.988515\n12.988515 12.988515 4.329505\n12.988515 4.329505 12.988515\n12.988515 4.329505 4.329505\n4.329505 12.988515 12.988515\n4.329505 12.988515 4.329505\n4.329505 4.329505 4.329505\n8.65901 8.65901 8.65901\n8.65901 8.65901 0.0\n8.65901 0.0 8.65901\n8.65901 0.0 0.0\n0.0 8.65901 8.65901\n0.0 8.65901 0.0\n0.0 0.0 8.65901\n0.0 0.0 0.0\n8.107374572517111 5.592631922984925 5.59150426626164\n14.25051426626164 9.210645427482888 11.725388077015076\n14.25051426626164 9.210645427482888 3.0663780770150746\n14.25051426626164 0.5516354274828882 11.725388077015076\n5.59150426626164 9.210645427482888 3.0663780770150746\n5.59150426626164 9.210645427482888 11.725388077015076\n8.107374572517111 5.592631922984925 14.25051426626164\n5.59150426626164 0.5516354274828882 11.725388077015076\n14.25051426626164 0.5516354274828882 3.0663780770150746\n8.107374572517111 14.251641922984925 5.59150426626164\n16.76638457251711 5.592631922984925 14.25051426626164\n16.76638457251711 5.592631922984925 5.59150426626164\n5.59150426626164 0.5516354274828882 3.0663780770150746\n16.76638457251711 14.251641922984925 5.59150426626164\n16.76638457251711 14.251641922984925 14.25051426626164\n5.59150426626164 8.107374572517111 5.592631922984925\n5.59150426626164 8.107374572517111 14.251641922984925\n5.59150426626164 16.76638457251711 5.592631922984925\n5.59150426626164 16.76638457251711 14.251641922984925\n14.25051426626164 8.107374572517111 5.592631922984925\n8.107374572517111 14.251641922984925 14.25051426626164\n11.726515733738362 16.76638457251711 11.725388077015076\n9.92100926626164 7.395883077015076 4.8811404274828885\n11.726515733738362 8.107374572517111 11.725388077015076\n1.2619992662616402 7.395883077015076 13.540150427482889\n1.2619992662616402 16.054893077015077 4.8811404274828885\n1.2619992662616402 16.054893077015077 13.540150427482889\n14.25051426626164 8.107374572517111 14.251641922984925\n9.92100926626164 7.395883077015076 13.540150427482889\n9.92100926626164 16.054893077015077 4.8811404274828885\n9.92100926626164 16.054893077015077 13.540150427482889\n8.107374572517111 3.0663780770150746 3.067505733738361\n8.107374572517111 3.0663780770150746 11.726515733738362\n11.726515733738362 16.76638457251711 3.0663780770150746\n8.107374572517111 11.725388077015076 3.067505733738361\n16.76638457251711 3.0663780770150746 3.067505733738361\n16.76638457251711 3.0663780770150746 11.726515733738362\n16.76638457251711 11.725388077015076 3.067505733738361\n16.76638457251711 11.725388077015076 11.726515733738362\n3.067505733738361 8.107374572517111 3.0663780770150746\n3.067505733738361 8.107374572517111 11.725388077015076\n3.067505733738361 16.76638457251711 3.0663780770150746\n3.067505733738361 16.76638457251711 11.725388077015076\n11.726515733738362 8.107374572517111 3.0663780770150746\n8.107374572517111 11.725388077015076 11.726515733738362\n14.25051426626164 16.76638457251711 5.592631922984925\n3.067505733738361 9.210645427482888 5.592631922984925\n0.5516354274828882 5.592631922984925 3.067505733738361\n3.0663780770150746 14.25051426626164 0.5516354274828882\n3.0663780770150746 14.25051426626164 9.210645427482888\n11.725388077015076 5.59150426626164 0.5516354274828882\n11.725388077015076 5.59150426626164 9.210645427482888\n11.725388077015076 14.25051426626164 0.5516354274828882\n11.725388077015076 14.25051426626164 9.210645427482888\n5.592631922984925 3.067505733738361 0.5516354274828882\n5.592631922984925 3.067505733738361 9.210645427482888\n5.592631922984925 11.726515733738362 0.5516354274828882\n3.0663780770150746 5.59150426626164 9.210645427482888\n5.592631922984925 11.726515733738362 9.210645427482888\n14.251641922984925 3.067505733738361 9.210645427482888\n14.251641922984925 11.726515733738362 0.5516354274828882\n14.251641922984925 11.726515733738362 9.210645427482888\n5.592631922984925 5.59150426626164 8.107374572517111\n5.592631922984925 5.59150426626164 16.76638457251711\n5.592631922984925 14.25051426626164 8.107374572517111\n5.592631922984925 14.25051426626164 16.76638457251711\n14.251641922984925 5.59150426626164 8.107374572517111\n14.251641922984925 5.59150426626164 16.76638457251711\n14.251641922984925 3.067505733738361 0.5516354274828882\n3.0663780770150746 5.59150426626164 0.5516354274828882\n11.726515733738362 9.210645427482888 14.251641922984925\n11.726515733738362 9.210645427482888 5.592631922984925\n0.5516354274828882 5.592631922984925 11.726515733738362\n0.5516354274828882 14.251641922984925 3.067505733738361\n0.5516354274828882 14.251641922984925 11.726515733738362\n9.210645427482888 5.592631922984925 3.067505733738361\n9.210645427482888 5.592631922984925 11.726515733738362\n9.210645427482888 14.251641922984925 3.067505733738361\n9.210645427482888 14.251641922984925 11.726515733738362\n0.5516354274828882 3.0663780770150746 5.59150426626164\n0.5516354274828882 3.0663780770150746 14.25051426626164\n0.5516354274828882 11.725388077015076 5.59150426626164\n0.5516354274828882 11.725388077015076 14.25051426626164\n9.210645427482888 3.0663780770150746 5.59150426626164\n9.210645427482888 3.0663780770150746 14.25051426626164\n9.210645427482888 11.725388077015076 5.59150426626164\n9.210645427482888 11.725388077015076 14.25051426626164\n3.067505733738361 0.5516354274828882 5.592631922984925\n3.067505733738361 0.5516354274828882 14.251641922984925\n1.2619992662616402 7.395883077015076 4.8811404274828885\n3.067505733738361 9.210645427482888 14.251641922984925\n11.726515733738362 0.5516354274828882 5.592631922984925\n11.726515733738362 0.5516354274828882 14.251641922984925\n14.25051426626164 16.76638457251711 14.251641922984925\n16.05602073373836 9.922136922984924 13.540150427482889\n16.054893077015077 12.436879572517112 16.05602073373836\n16.05602073373836 1.2631269229849245 13.540150427482889\n4.8811404274828885 7.397010733738361 1.2631269229849245\n4.8811404274828885 7.397010733738361 9.922136922984924\n4.8811404274828885 16.05602073373836 1.2631269229849245\n4.8811404274828885 16.05602073373836 9.922136922984924\n13.540150427482889 7.397010733738361 1.2631269229849245\n13.540150427482889 7.397010733738361 9.922136922984924\n13.540150427482889 16.05602073373836 1.2631269229849245\n13.540150427482889 16.05602073373836 9.922136922984924\n7.397010733738361 7.395883077015076 3.777869572517112\n12.436879572517112 16.05602073373836 16.054893077015077\n7.397010733738361 7.395883077015076 12.436879572517112\n7.397010733738361 16.054893077015077 12.436879572517112\n16.05602073373836 7.395883077015076 3.777869572517112\n16.05602073373836 7.395883077015076 12.436879572517112\n16.05602073373836 16.054893077015077 3.777869572517112\n16.05602073373836 16.054893077015077 12.436879572517112\n1.2619992662616402 1.2631269229849245 3.777869572517112\n1.2619992662616402 1.2631269229849245 12.436879572517112\n1.2619992662616402 9.922136922984924 3.777869572517112\n1.2619992662616402 9.922136922984924 12.436879572517112\n7.397010733738361 16.054893077015077 3.777869572517112\n9.92100926626164 1.2631269229849245 3.777869572517112\n12.436879572517112 16.05602073373836 7.395883077015076\n12.436879572517112 7.397010733738361 7.395883077015076\n7.395883077015076 3.777869572517112 7.397010733738361\n7.395883077015076 3.777869572517112 16.05602073373836\n7.395883077015076 12.436879572517112 7.397010733738361\n7.395883077015076 12.436879572517112 16.05602073373836\n16.054893077015077 3.777869572517112 7.397010733738361\n16.054893077015077 3.777869572517112 16.05602073373836\n16.054893077015077 12.436879572517112 7.397010733738361\n14.251641922984925 14.25051426626164 8.107374572517111\n7.395883077015076 4.8811404274828885 1.2619992662616402\n12.436879572517112 7.397010733738361 16.054893077015077\n7.395883077015076 4.8811404274828885 9.92100926626164\n7.395883077015076 13.540150427482889 9.92100926626164\n16.054893077015077 4.8811404274828885 1.2619992662616402\n16.054893077015077 4.8811404274828885 9.92100926626164\n16.054893077015077 13.540150427482889 1.2619992662616402\n16.054893077015077 13.540150427482889 9.92100926626164\n3.777869572517112 7.397010733738361 7.395883077015076\n3.777869572517112 7.397010733738361 16.054893077015077\n3.777869572517112 16.05602073373836 7.395883077015076\n3.777869572517112 16.05602073373836 16.054893077015077\n7.395883077015076 13.540150427482889 1.2619992662616402\n9.92100926626164 1.2631269229849245 12.436879572517112\n9.92100926626164 9.922136922984924 3.777869572517112\n9.92100926626164 9.922136922984924 12.436879572517112\n4.8811404274828885 1.2619992662616402 16.054893077015077\n4.8811404274828885 9.92100926626164 7.395883077015076\n4.8811404274828885 9.92100926626164 16.054893077015077\n13.540150427482889 1.2619992662616402 7.395883077015076\n13.540150427482889 1.2619992662616402 16.054893077015077\n13.540150427482889 9.92100926626164 7.395883077015076\n13.540150427482889 9.92100926626164 16.054893077015077\n3.777869572517112 1.2619992662616402 1.2631269229849245\n3.777869572517112 1.2619992662616402 9.922136922984924\n4.8811404274828885 1.2619992662616402 7.395883077015076\n3.777869572517112 9.92100926626164 1.2631269229849245\n12.436879572517112 1.2619992662616402 1.2631269229849245\n12.436879572517112 1.2619992662616402 9.922136922984924\n12.436879572517112 9.92100926626164 1.2631269229849245\n12.436879572517112 9.92100926626164 9.922136922984924\n7.397010733738361 1.2631269229849245 4.8811404274828885\n7.397010733738361 1.2631269229849245 13.540150427482889\n7.397010733738361 9.922136922984924 4.8811404274828885\n7.397010733738361 9.922136922984924 13.540150427482889\n16.05602073373836 1.2631269229849245 4.8811404274828885\n3.777869572517112 9.92100926626164 9.922136922984924\n9.922136922984924 13.540150427482889 16.05602073373836\n9.922136922984924 13.540150427482889 7.397010733738361\n9.922136922984924 4.8811404274828885 16.05602073373836\n3.0663780770150746 3.067505733738361 8.107374572517111\n3.0663780770150746 3.067505733738361 16.76638457251711\n3.0663780770150746 11.726515733738362 8.107374572517111\n3.0663780770150746 11.726515733738362 16.76638457251711\n11.725388077015076 3.067505733738361 8.107374572517111\n11.725388077015076 3.067505733738361 16.76638457251711\n11.725388077015076 11.726515733738362 8.107374572517111\n11.725388077015076 11.726515733738362 16.76638457251711\n1.2631269229849245 3.777869572517112 1.2619992662616402\n1.2631269229849245 3.777869572517112 9.92100926626164\n1.2631269229849245 12.436879572517112 1.2619992662616402\n1.2631269229849245 12.436879572517112 9.92100926626164\n9.922136922984924 3.777869572517112 1.2619992662616402\n9.922136922984924 3.777869572517112 9.92100926626164\n9.922136922984924 12.436879572517112 1.2619992662616402\n9.922136922984924 12.436879572517112 9.92100926626164\n1.2631269229849245 4.8811404274828885 7.397010733738361\n1.2631269229849245 4.8811404274828885 16.05602073373836\n1.2631269229849245 13.540150427482889 7.397010733738361\n1.2631269229849245 13.540150427482889 16.05602073373836\n9.922136922984924 4.8811404274828885 7.397010733738361\n16.05602073373836 9.922136922984924 4.8811404274828885\n14.251641922984925 14.25051426626164 16.76638457251711\n""Be6Cd8Si6Te2O24\n1.0\n8.659008361673392 -0.0 -0.0\n0.0 8.659008361673392 0.0\n-0.0 -0.0 8.659008361673392\nBe Cd Si Te O\n6 8 6 2 24\nCartesian\n2.1647525 4.329505 0.0\n4.329505 0.0 6.4942575\n4.329505 0.0 2.1647525\n0.0 2.1647525 4.329505\n0.0 6.4942575 4.329505\n6.4942575 4.329505 0.0\n5.923332861836443 5.923332861836443 5.923332861836443\n7.065182138163557 1.5938278618364439 7.065182138163557\n1.5938278618364439 7.065182138163557 7.065182138163557\n7.065182138163557 7.065182138163557 1.5938278618364439\n2.7356771381635574 2.7356771381635574 5.923332861836443\n2.7356771381635574 5.923332861836443 2.7356771381635574\n1.5938278618364439 1.5938278618364439 1.5938278618364439\n5.923332861836443 2.7356771381635574 2.7356771381635574\n0.0 4.329505 6.4942575\n2.1647525 0.0 4.329505\n0.0 4.329505 2.1647525\n4.329505 2.1647525 0.0\n4.329505 6.4942575 0.0\n6.4942575 0.0 4.329505\n0.0 0.0 0.0\n4.329505 4.329505 4.329505\n3.0663780770150746 5.5915042662616425 0.5516354274828885\n3.067505733738359 0.5516354274828885 5.592631922984927\n0.5516354274828885 3.0663780770150746 5.5915042662616425\n0.5516354274828885 5.592631922984927 3.067505733738359\n5.5915042662616425 8.107374572517111 5.592631922984927\n8.107374572517111 5.592631922984927 5.5915042662616425\n5.5915042662616425 0.5516354274828885 3.0663780770150746\n3.067505733738359 8.107374572517111 3.0663780770150746\n8.107374572517111 3.0663780770150746 3.067505733738359\n1.261999266261642 7.395883077015074 4.8811404274828885\n7.397010733738358 1.2631269229849256 4.8811404274828885\n7.395883077015074 3.7778695725171114 7.397010733738358\n4.8811404274828885 1.261999266261642 7.395883077015074\n1.2631269229849256 4.8811404274828885 7.397010733738358\n1.2631269229849256 3.7778695725171114 1.261999266261642\n3.0663780770150746 3.067505733738359 8.107374572517111\n1.261999266261642 1.2631269229849256 3.7778695725171114\n7.397010733738358 7.395883077015074 3.7778695725171114\n4.8811404274828885 7.397010733738358 1.2631269229849256\n3.7778695725171114 7.397010733738358 7.395883077015074\n7.395883077015074 4.8811404274828885 1.261999266261642\n5.592631922984927 3.067505733738359 0.5516354274828885\n3.7778695725171114 1.261999266261642 1.2631269229849256\n5.592631922984927 5.5915042662616425 8.107374572517111\n""CIF file written using JARVIS-Tools package.\ndata_Be3Cd4Si3TeO12\n_symmetry_space_group_name_H-M 'P-43n'\n_cell_length_a 8.65901\n_cell_length_b 8.65901\n_cell_length_c 8.65901\n_cell_angle_alpha 90\n_cell_angle_beta 90\n_cell_angle_gamma 90\n\n_symmetry_Int_Tables_number 218\n_chemical_formula_structural Be3Cd4Si3TeO12\n_chemical_formula_sum Be6Cd8Si6Te2O24\n_cell_volume 649.2388160125079\n_cell_formula_units_Z 2\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 Be Be1 1 0.25000 0.50000 -0.00000 1\n Be Be2 1 0.50000 0.00000 0.75000 1\n Be Be3 1 0.50000 0.00000 0.25000 1\n Be Be4 1 -0.00000 0.25000 0.50000 1\n Be Be5 1 -0.00000 0.75000 0.50000 1\n Be Be6 1 0.75000 0.50000 -0.00000 1\n Cd Cd1 1 0.68407 0.68407 0.68407 1\n Cd Cd2 1 0.81593 0.18407 0.81593 1\n Cd Cd3 1 0.18407 0.81593 0.81593 1\n Cd Cd4 1 0.81593 0.81593 0.18407 1\n Cd Cd5 1 0.68407 0.31593 0.31593 1\n Cd Cd6 1 0.31593 0.31593 0.68407 1\n Cd Cd7 1 0.31593 0.68407 0.31593 1\n Cd Cd8 1 0.18407 0.18407 0.18407 1\n O O1 1 0.56371 0.14574 0.85413 1\n O O2 1 0.43629 0.14574 0.14587 1\n O O3 1 0.85426 0.14587 0.56371 1\n O O4 1 0.14574 0.85413 0.56371 1\n O O5 1 0.93629 0.35413 0.35426 1\n O O6 1 0.35426 0.93629 0.35413 1\n O O7 1 0.35413 0.64574 0.06371 1\n O O8 1 0.93629 0.64587 0.64574 1\n O O9 1 0.64574 0.93629 0.64587 1\n O O10 1 0.06371 0.64587 0.35426 1\n O O11 1 0.06371 0.35413 0.64574 1\n O O12 1 0.35426 0.06371 0.64587 1\n O O13 1 0.14587 0.56371 0.85426 1\n O O14 1 0.64574 0.06371 0.35413 1\n O O15 1 0.14587 0.43629 0.14574 1\n O O16 1 0.85413 0.43629 0.85426 1\n O O17 1 0.14574 0.14587 0.43629 1\n O O18 1 0.85426 0.85413 0.43629 1\n O O19 1 0.56371 0.85426 0.14587 1\n O O20 1 0.43629 0.85426 0.85413 1\n O O21 1 0.85413 0.56371 0.14574 1\n O O22 1 0.64587 0.35426 0.06371 1\n O O23 1 0.35413 0.35426 0.93629 1\n O O24 1 0.64587 0.64574 0.93629 1\n Si Si1 1 0.25000 0.00000 0.50000 1\n Si Si2 1 -0.00000 0.50000 0.75000 1\n Si Si3 1 -0.00000 0.50000 0.25000 1\n Si Si4 1 0.50000 0.25000 -0.00000 1\n Si Si5 1 0.50000 0.75000 -0.00000 1\n Si Si6 1 0.75000 0.00000 0.50000 1\n Te Te1 1 0.50000 0.50000 0.50000 1\n Te Te2 1 -0.00000 0.00000 -0.00000 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