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{
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"structure_string": "Li4 Fe4 F12\n1.0\n5.001558 -0.032942 0.082724\n-2.491362 4.510547 -0.018994\n-1.548922 -1.931891 9.892364\nLi Fe F\n4 4 12\ndirect\n0.252674 0.512053 0.947568 Li\n0.022075 0.289587 0.570094 Li\n-0.040016 0.717591 0.443378 Li\n0.768541 0.503420 0.056736 Li\n0.577855 0.965981 0.248341 Fe\n0.151943 0.250869 0.246370 Fe\n0.779312 0.751891 0.755033 Fe\n0.492347 0.034197 0.750597 Fe\n0.573114 0.655107 0.354739 F\n0.472572 0.218802 0.136669 F\n0.159558 0.553142 0.123821 F\n0.193307 0.790398 0.863221 F\n0.930852 0.337817 0.391673 F\n0.893050 0.141928 0.880535 F\n0.385941 0.653651 0.621556 F\n0.547595 0.444721 0.875315 F\n0.252622 0.991252 0.355619 F\n0.060056 0.969527 0.621363 F\n0.732347 0.347723 0.644216 F\n0.794272 0.870155 0.113150 F\n",
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"structure_string": "Er2 Ag2 P4 Se12\n1.0\n3.307377 -5.728544 0.000000\n3.307377 5.728544 0.000000\n0.000000 0.000000 13.496468\nEr Ag P Se\n2 2 4 12\ndirect\n0.000000 0.000000 0.250000 Er\n0.000000 0.000000 0.750000 Er\n0.333334 0.666667 0.250000 Ag\n0.666667 0.333334 0.750000 Ag\n0.666667 0.333334 0.334771 P\n0.666667 0.333334 0.165229 P\n0.333334 0.666667 0.665229 P\n0.333334 0.666667 0.834771 P\n0.341044 0.321868 0.384063 Se\n0.678133 0.658957 0.115937 Se\n0.341044 0.019176 0.115937 Se\n0.980825 0.321868 0.115937 Se\n0.019176 0.341044 0.615937 Se\n0.658957 0.980825 0.884063 Se\n0.658957 0.678133 0.615937 Se\n0.321868 0.341044 0.884063 Se\n0.678133 0.019176 0.384063 Se\n0.019176 0.678133 0.884063 Se\n0.321868 0.980825 0.615937 Se\n0.980825 0.658957 0.384063 Se\n",
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"structure_string": "Ba4 Sr2 U2 O12\n1.0\n6.289890 0.000000 -0.025304\n0.000000 6.334720 0.000000\n0.001489 0.000000 8.888867\nBa Sr U O\n4 2 2 12\ndirect\n0.491512 0.533882 0.249210 Ba\n0.008488 0.033882 0.250790 Ba\n0.991512 0.966118 0.749210 Ba\n0.508488 0.466118 0.750791 Ba\n0.500000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 U\n0.000000 0.500000 0.000000 U\n0.689517 0.733965 0.551050 O\n0.810483 0.233965 0.948951 O\n0.912750 0.471134 0.227452 O\n0.265134 0.307706 0.042686 O\n0.234866 0.807706 0.457314 O\n0.734866 0.692294 0.957314 O\n0.765134 0.192294 0.542687 O\n0.412750 0.028866 0.727452 O\n0.087250 0.528866 0.772549 O\n0.587250 0.971134 0.272549 O\n0.189517 0.766035 0.051050 O\n0.310483 0.266035 0.448951 O\n",
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{
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"created_at": "2022-09-04T14:36:10.675071Z",
"updated_at": "2022-09-04T14:36:10.675097Z",
"structure_string": "Na4 V4 O12\n1.0\n5.352165 4.717015 0.064950\n-5.352165 4.717015 -0.064950\n-2.047241 0.000000 5.566212\nNa V O\n4 4 12\ndirect\n0.576720 0.595310 0.742494 Na\n0.204097 0.222705 0.742504 Na\n0.404691 0.423280 0.242494 Na\n0.777296 0.795904 0.242505 Na\n0.107603 0.711294 0.726694 V\n0.288707 0.892398 0.226694 V\n0.692692 0.126202 0.758308 V\n0.873799 0.307308 0.258309 V\n0.385218 0.118232 0.164393 O\n0.719409 0.484016 0.157308 O\n0.881769 0.614783 0.664393 O\n0.515984 0.280592 0.657308 O\n0.465406 0.737992 0.327684 O\n0.142857 0.867626 0.445425 O\n0.262009 0.534595 0.827683 O\n0.596187 0.900365 0.820606 O\n0.838544 0.150992 0.539582 O\n0.132375 0.857144 0.945425 O\n0.099636 0.403814 0.320607 O\n0.849009 0.161457 0.039582 O\n",
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{
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"structure_string": "Zn2 Co2 Si4 O12\n1.0\n5.139354 0.119213 1.187678\n1.425886 6.517269 0.541967\n0.158268 -0.094220 6.690871\nZn Co Si O\n2 2 4 12\ndirect\n0.750000 0.242086 0.757914 Zn\n0.250002 0.757914 0.242087 Zn\n0.249999 0.092652 0.907349 Co\n0.749999 0.907349 0.092652 Co\n0.239923 0.217272 0.390771 Si\n0.260077 0.609229 0.782729 Si\n0.739923 0.390770 0.217272 Si\n0.760078 0.782728 0.609230 Si\n0.647656 0.961311 0.788690 O\n0.852345 0.211309 0.038690 O\n0.626020 0.623457 0.136653 O\n0.873979 0.863348 0.376544 O\n0.373980 0.376542 0.863348 O\n0.010712 0.609956 0.675316 O\n0.989287 0.390044 0.324685 O\n0.510713 0.675316 0.609957 O\n0.352344 0.038689 0.211311 O\n0.489289 0.324685 0.390044 O\n0.126021 0.136651 0.623457 O\n0.147657 0.788690 0.961311 O\n",
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{
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"created_at": "2022-09-04T14:36:16.182659Z",
"updated_at": "2022-09-04T14:36:16.182691Z",
"structure_string": "Th1 Mn4 Cu3 O12\n1.0\n6.015930 -0.000036 -2.126863\n-3.008040 5.209918 -2.126987\n0.000086 -0.000004 6.380831\nTh Mn Cu O\n1 4 3 12\ndirect\n-0.000001 -0.000002 -0.000002 Th\n-0.000001 -0.000001 0.500001 Mn\n0.500001 0.000001 0.000003 Mn\n0.500002 0.500000 0.500001 Mn\n-0.000003 0.499999 -0.000003 Mn\n0.500001 0.000001 0.500000 Cu\n0.500001 0.500001 0.000000 Cu\n0.000000 0.500001 0.500001 Cu\n0.524565 0.821934 0.702632 O\n0.880700 0.178067 0.702632 O\n0.475434 0.178067 0.297367 O\n0.178051 0.702640 0.880689 O\n0.702624 0.880681 0.178058 O\n0.702622 0.524564 0.821943 O\n0.178051 0.297362 0.475410 O\n0.821950 0.702638 0.524589 O\n0.119302 0.821933 0.297369 O\n0.297377 0.119321 0.821943 O\n0.297376 0.475435 0.178057 O\n0.821952 0.297361 0.119312 O\n",
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{
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"structure_string": "Ca1 Mn7 O12\n1.0\n6.032577 0.013761 -2.141368\n-3.036361 5.212742 -2.141369\n0.007888 0.013761 6.401358\nCa Mn O\n1 7 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000000 -0.000000 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 -0.000000 Mn\n0.691606 0.869882 0.178245 O\n0.130118 0.821755 0.308394 O\n0.486743 0.178304 0.308426 O\n0.178245 0.691606 0.869882 O\n0.869883 0.178245 0.691606 O\n0.691574 0.513257 0.821696 O\n0.821696 0.691573 0.513257 O\n0.513257 0.821695 0.691574 O\n0.308426 0.486743 0.178304 O\n0.178304 0.308426 0.486743 O\n0.308394 0.130118 0.821755 O\n0.821755 0.308394 0.130118 O\n",
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"structure_string": "Bi8 O12\n1.0\n0.000000 5.934150 -0.032529\n8.139181 0.000000 0.000000\n0.000000 -2.839589 -6.901743\nBi O\n8 12\ndirect\n0.038145 0.543761 0.274786 Bi\n0.961855 0.043761 0.225214 Bi\n0.961854 0.456239 0.725214 Bi\n0.038145 0.956239 0.774786 Bi\n0.522169 0.689839 0.869144 Bi\n0.477830 0.189839 0.630855 Bi\n0.477830 0.310161 0.130855 Bi\n0.522170 0.810161 0.369145 Bi\n0.221715 0.207329 0.793227 O\n0.778285 0.707329 0.706773 O\n0.236634 0.946367 0.122266 O\n0.763366 0.446367 0.377734 O\n0.763366 0.053632 0.877734 O\n0.727820 0.034389 0.483981 O\n0.272179 0.965611 0.516018 O\n0.727820 0.465611 0.983981 O\n0.221715 0.292671 0.293227 O\n0.272179 0.534389 0.016019 O\n0.236634 0.553632 0.622266 O\n0.778285 0.792671 0.206773 O\n",
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{
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"structure_string": "Tm8 S8 O4\n1.0\n6.674507 0.000000 -1.149489\n0.000000 6.778449 0.000000\n0.009255 0.000000 8.148236\nTm S O\n8 8 4\ndirect\n0.175979 0.354033 0.424646 Tm\n0.824022 0.645967 0.575355 Tm\n0.675979 0.145967 0.424646 Tm\n0.251029 0.446216 0.861669 Tm\n0.248972 0.946216 0.138331 Tm\n0.748972 0.553784 0.138331 Tm\n0.751030 0.053784 0.861669 Tm\n0.324022 0.854033 0.575355 Tm\n0.419363 0.630593 0.317837 S\n0.080638 0.130593 0.682163 S\n0.580638 0.369407 0.682163 S\n0.969426 0.722016 0.924300 S\n0.530575 0.222016 0.075701 S\n0.030575 0.277984 0.075701 S\n0.469426 0.777984 0.924300 S\n0.919364 0.869407 0.317837 S\n0.650170 0.913152 0.616537 O\n0.849831 0.413152 0.383463 O\n0.349831 0.086848 0.383463 O\n0.150170 0.586848 0.616537 O\n",
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{
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"created_at": "2022-09-04T14:36:15.284652Z",
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"structure_string": "Li4 Cu8 O8\n1.0\n2.881536 -0.000000 0.000000\n0.000000 5.709600 0.000000\n0.000000 0.000000 12.542180\nLi Cu O\n4 8 8\ndirect\n0.750001 0.868611 0.429301 Li\n0.250000 0.131389 0.570699 Li\n0.750001 0.368611 0.070699 Li\n0.250000 0.631389 0.929301 Li\n0.250000 0.122075 0.257747 Cu\n0.750001 0.377925 0.757747 Cu\n0.250000 0.622075 0.242253 Cu\n0.750001 0.877844 0.097613 Cu\n0.250000 0.122156 0.902387 Cu\n0.250000 0.622156 0.597613 Cu\n0.750001 0.377844 0.402387 Cu\n0.750001 0.877925 0.742253 Cu\n0.750001 0.866512 0.592290 O\n0.750001 0.366512 0.907709 O\n0.250000 0.633488 0.092291 O\n0.750001 0.882034 0.890767 O\n0.250000 0.117966 0.109233 O\n0.750001 0.382034 0.609233 O\n0.250000 0.617966 0.390767 O\n0.250000 0.133488 0.407709 O\n",
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{
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"structure_string": "Ni8 Pd4 Se8\n1.0\n5.249131 0.000000 2.043494\n2.624566 7.516784 1.021747\n-0.102374 -0.000000 8.026449\nNi Pd Se\n8 4 8\ndirect\n0.096701 0.500000 0.806601 Ni\n0.403301 0.193399 0.500000 Ni\n0.596701 0.806600 0.500000 Ni\n0.903301 0.500000 0.193399 Ni\n0.903301 0.193399 0.500000 Ni\n0.096701 0.806600 0.500000 Ni\n0.403301 0.500000 0.193399 Ni\n0.596701 0.500000 0.806601 Ni\n0.000001 0.500000 0.500000 Pd\n0.500001 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.500000 -0.000000 -0.000000 Pd\n0.500001 0.755693 0.244307 Se\n0.500001 0.244306 0.755693 Se\n0.831045 0.000000 0.337909 Se\n0.168955 0.000000 0.662090 Se\n0.255694 0.244306 0.244307 Se\n0.168955 0.662090 0.000000 Se\n0.831045 0.337909 -0.000000 Se\n0.744308 0.755693 0.755693 Se\n",
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}