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{
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"structure_string": "Mg2 Si2 As4\n1.0\n5.946451 -0.000000 0.000000\n0.000000 5.946451 0.000000\n-2.973225 -2.973225 5.420950\nMg Si As\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.000000 0.000000 0.000000 Si\n0.250000 0.750000 0.500000 Si\n0.124999 0.658046 0.750000 As\n0.341953 0.375000 0.250000 As\n0.908047 0.875000 0.250000 As\n0.624999 0.091952 0.750000 As\n",
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{
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{
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"structure_string": "Co1 H4 Br2 O2\n1.0\n3.739447 0.046836 -0.368942\n-0.652215 5.628243 -0.759588\n0.056100 0.039198 5.716593\nCo H Br O\n1 4 2 2\ndirect\n-0.000000 0.000000 -0.000000 Co\n0.845861 0.214958 0.614869 H\n0.154119 0.385187 0.785102 H\n0.845884 0.614814 0.214898 H\n0.154141 0.785042 0.385131 H\n0.437900 0.756289 0.756250 Br\n0.562102 0.243712 0.243750 Br\n0.000046 0.767045 0.232871 O\n-0.000047 0.232954 0.767128 O\n",
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{
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"structure_string": "K2 Eu1 Au1 Cl6\n1.0\n6.530362 -0.000000 3.770307\n2.176788 6.156885 3.770306\n-0.000000 -0.000000 7.540613\nK Eu Au Cl\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.749999 0.750001 K\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Au\n0.252931 0.747069 0.252931 Cl\n0.747070 0.747069 0.252931 Cl\n0.747069 0.252931 0.747070 Cl\n0.747069 0.252931 0.252931 Cl\n0.252931 0.747069 0.747070 Cl\n0.252931 0.252931 0.747069 Cl\n",
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"structure_string": "Br1 Cl1 F1\n1.0\n4.490691 0.000000 0.000000\n-2.245346 3.889053 -0.000000\n0.000000 0.000000 3.645040\nBr Cl F\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Br\n0.333332 0.666666 0.000000 Cl\n0.666665 0.333333 0.000000 F\n",
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"structure_string": "Li3 Fe3 F9\n1.0\n5.097698 0.010355 0.006427\n2.532748 4.416828 0.003191\n-0.006198 -0.011574 7.570546\nLi Fe F\n3 3 9\ndirect\n0.999833 0.001167 0.655934 Li\n0.000619 0.999910 0.343960 Li\n0.668719 0.665120 0.261527 Li\n0.334239 0.332602 0.347706 Fe\n0.003603 -0.004158 0.994848 Fe\n0.667631 0.666913 0.677915 Fe\n0.978283 0.688108 0.490377 F\n0.307066 0.686392 0.191040 F\n0.008855 0.303830 0.190394 F\n0.333790 0.978582 0.490833 F\n0.312345 0.712173 0.812137 F\n0.688731 0.006563 0.190950 F\n0.713882 0.974260 0.814344 F\n0.689082 0.333421 0.490509 F\n0.972909 0.312131 0.814450 F\n",
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"structure_string": "Lu2 Cl6 O24\n1.0\n7.259265 0.011940 5.713906\n2.780918 6.705489 5.713906\n0.017846 0.011940 9.238254\nLu Cl O\n2 6 24\ndirect\n0.558582 0.558581 0.558581 Lu\n0.058581 0.058581 0.058581 Lu\n0.344209 0.967729 0.688478 Cl\n0.688480 0.344208 0.967729 Cl\n0.967730 0.688479 0.344208 Cl\n0.467730 0.844208 0.188479 Cl\n0.188479 0.467729 0.844207 Cl\n0.844209 0.188479 0.467729 Cl\n0.582761 0.626236 0.252238 O\n0.082761 0.752238 0.126236 O\n0.752239 0.126236 0.082760 O\n0.126236 0.082760 0.752238 O\n0.891831 0.343313 0.418771 O\n0.343314 0.418771 0.891829 O\n0.418771 0.891830 0.343313 O\n0.918772 0.843313 0.391830 O\n0.882758 0.204558 0.279363 O\n0.951767 -0.005367 0.575278 O\n-0.005366 0.575278 0.951765 O\n0.575278 0.951766 -0.005367 O\n0.075278 0.494633 0.451766 O\n0.494634 0.451766 0.075278 O\n0.451767 0.075278 0.494633 O\n0.252239 0.582760 0.626235 O\n0.626237 0.252238 0.582760 O\n0.382758 0.779363 0.704557 O\n0.704559 0.382758 0.779362 O\n0.779364 0.704558 0.382757 O\n0.279363 0.882758 0.204558 O\n0.204558 0.279363 0.882757 O\n0.391831 0.918771 0.843313 O\n0.843314 0.391830 0.918770 O\n",
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"structure_string": "K2 Rb1 Bi1 F6\n1.0\n5.960051 -0.000000 3.441037\n1.986684 5.619190 3.441037\n-0.000000 -0.000000 6.882074\nK Rb Bi F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.767729 0.232270 0.232271 F\n0.232270 0.232270 0.767730 F\n0.232270 0.767730 0.767730 F\n0.232270 0.767730 0.232271 F\n0.767729 0.232270 0.767730 F\n0.767729 0.767730 0.232271 F\n",
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"structure_string": "Li4 Fe4 P4 O16\n1.0\n5.499597 0.019473 0.630674\n-1.258904 5.808342 -1.355900\n-0.183575 0.157725 9.293835\nLi Fe P O\n4 4 4 16\ndirect\n0.320095 0.333939 0.030771 Li\n0.679924 0.666064 0.969225 Li\n0.845556 0.516875 0.272207 Li\n0.154442 0.483103 0.727794 Li\n0.221782 -0.001347 0.743852 Fe\n0.783630 0.851749 0.661987 Fe\n0.778218 0.001337 0.256152 Fe\n0.216372 0.148262 0.338005 Fe\n0.662804 0.297972 0.567694 P\n0.337188 0.702038 0.432305 P\n0.805604 0.189487 0.948782 P\n0.194404 0.810507 0.051219 P\n0.812887 0.540757 0.629524 O\n0.187101 0.459257 0.370467 O\n0.395226 0.253780 0.637717 O\n0.604771 0.746218 0.362287 O\n0.819991 0.133564 0.596926 O\n0.180015 0.866457 0.403074 O\n0.696755 0.934159 0.878206 O\n0.641488 0.343737 0.921201 O\n0.162158 0.785201 0.883156 O\n0.837835 0.214784 0.116845 O\n0.074596 0.253647 0.875308 O\n0.925416 0.746341 0.124694 O\n0.640621 0.263080 0.396984 O\n0.358538 0.656270 0.078800 O\n0.303245 0.065841 0.121790 O\n0.359367 0.736918 0.603015 O\n",
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}