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<forme>-0.87<forme><bg>0.0<bg><abc>4.158 4.158 8.237<abc><angles>90.000 90.000 90.000<angles><comp>Ce1 Y1 Pd6<comp><coord>Ce 0.000 0.000 0.000 Y 0.000 0.000 0.500 Pd 0.500 0.500 0.000 Pd 0.500 0.500 0.500 Pd 0.500 0.000 0.246 Pd 0.500 0.000 0.754 Pd 0.000 0.500 0.246 Pd 0.000 0.500 0.754 <coord> |
<forme>-0.44<forme><bg>0.0<bg><abc>4.316 4.343 13.290<abc><angles>99.405 99.344 90.000<angles><comp>Ca3 Ga8<comp><coord>Ca 0.000 0.000 0.000 Ca 0.645 0.145 0.290 Ca 0.355 0.855 0.710 Ga 0.750 0.750 0.501 Ga 0.250 0.250 0.499 Ga 0.548 0.548 0.096 Ga 0.452 0.452 0.904 Ga 0.905 0.405 0.811 Ga 0.095 0.595 0.189 Ga 0.809 0.309 0.618 Ga 0.191 0.691 0.382 <coord> |
<forme>0.03<forme><bg>0.0<bg><abc>4.034 4.034 4.034<abc><angles>60.000 60.000 60.000<angles><comp>Fe3 Ni1<comp><coord>Fe 0.250 0.250 0.250 Fe 0.750 0.750 0.750 Fe 0.500 0.500 0.500 Ni 0.000 0.000 0.000 <coord> |
<forme>-1.74<forme><bg>1.22<bg><abc>5.979 5.979 5.979<abc><angles>61.799 61.799 61.799<angles><comp>K2 Sn2 O3<comp><coord>K 0.500 0.500 0.500 K 0.000 0.000 0.000 Sn 0.759 0.759 0.759 Sn 0.241 0.241 0.241 O 0.000 0.500 0.000 O 0.000 0.000 0.500 O 0.500 0.000 0.000 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>5.081 5.081 5.081<abc><angles>90.000 90.000 90.000<angles><comp>Ca3 Pb1<comp><coord>Ca 0.000 0.500 0.500 Ca 0.500 0.500 0.000 Ca 0.500 0.000 0.500 Pb 0.000 0.000 0.000 <coord> |
<forme>-3.6<forme><bg>1.97<bg><abc>5.592 5.611 7.883<abc><angles>89.963 89.956 89.942<angles><comp>Sr2 La2 Mg1 Ti3 O12<comp><coord>Sr 0.492 0.501 0.245 Sr 0.007 0.004 0.755 La 0.981 0.987 0.237 La 0.511 0.496 0.763 Mg 0.498 1.000 0.999 Ti 0.998 0.499 0.501 Ti 0.495 0.000 0.498 Ti 0.001 0.499 0.000 O 0.226 0.760 0.036 O 0.749 0.745 0.464 O 0.757 0.251 0.537 O 0.261 0.276 0.965 O 0.763 0.254 0.968 O 0.267 0.269 0.537 O 0.231 0.766 0.462 O 0.751 0.738 0.032 O 0.002 0.424 0.255 O 0.511 0.054 0.261 O 0.997 0.557 0.746 O 0.500 0.921 0.739 <coord> |
<forme>-1.76<forme><bg>0.8<bg><abc>4.166 7.406 14.506<abc><angles>90.000 90.000 106.337<angles><comp>K2 Gd4 Cu2 Se8<comp><coord>K 0.889 0.777 0.750 K 0.111 0.223 0.250 Gd 0.635 0.269 0.936 Gd 0.635 0.269 0.564 Gd 0.365 0.731 0.436 Gd 0.365 0.731 0.064 Cu 0.160 0.320 0.750 Cu 0.840 0.680 0.250 Se 0.000 0.000 0.000 Se 0.266 0.531 0.887 Se 0.565 0.129 0.750 Se 0.266 0.531 0.613 Se 0.000 0.000 0.500 Se 0.734 0.469 0.387 Se 0.435 0.871 0.250 Se 0.734 0.469 0.113 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>5.404 5.404 5.404<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Ce1 Hg2<comp><coord>Ca 0.000 0.000 0.000 Ce 0.500 0.500 0.500 Hg 0.250 0.250 0.250 Hg 0.750 0.750 0.750 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>5.142 5.142 5.142<abc><angles>90.000 90.000 90.000<angles><comp>Pm3 Gd1<comp><coord>Pm 0.500 0.000 0.500 Pm 0.000 0.500 0.500 Pm 0.500 0.500 0.000 Gd 0.000 0.000 0.000 <coord> |
<forme>-1.04<forme><bg>0.7<bg><abc>8.375 8.375 8.375<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Tc1 I6<comp><coord>Cs 0.750 0.750 0.750 Cs 0.250 0.250 0.250 Tc 0.000 0.000 0.000 I 0.233 0.767 0.233 I 0.767 0.233 0.767 I 0.233 0.767 0.767 I 0.767 0.233 0.233 I 0.233 0.233 0.767 I 0.767 0.767 0.233 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>2.501 2.501 4.344<abc><angles>73.270 73.270 60.000<angles><comp>Cu1 Ni1<comp><coord>Cu 0.000 0.000 0.000 Ni 0.500 0.500 0.500 <coord> |
<forme>-3.0<forme><bg>5.56<bg><abc>6.537 6.564 6.537<abc><angles>60.137 90.000 119.863<angles><comp>K1 Rb2 In1 F6<comp><coord>K 0.500 0.000 0.500 Rb 0.750 0.500 0.750 Rb 0.250 0.500 0.250 In 0.000 0.000 0.000 F 0.263 1.000 0.186 F 0.737 0.000 0.814 F 0.186 1.000 0.737 F 0.814 0.000 0.263 F 0.226 0.451 0.774 F 0.774 0.549 0.226 <coord> |
<forme>-0.28<forme><bg>0.0<bg><abc>4.205 5.077 5.077<abc><angles>60.000 90.000 90.000<angles><comp>La1 Ni3 Rh2<comp><coord>La 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.500 0.000 0.500 Ni 0.500 0.500 0.500 Rh 1.000 0.667 0.667 Rh 1.000 0.333 0.333 <coord> |
<forme>-0.47<forme><bg>0.0<bg><abc>4.302 4.302 4.302<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Ni1 Sb1<comp><coord>Mg 0.500 0.500 0.500 Ni 0.750 0.750 0.750 Sb 0.000 0.000 0.000 <coord> |
<forme>-2.12<forme><bg>0.9<bg><abc>2.974 5.083 12.677<abc><angles>79.101 88.414 77.322<angles><comp>Li6 Mn4 O10<comp><coord>Li 0.100 0.800 0.700 Li 0.600 0.800 0.200 Li 0.673 0.619 0.900 Li 0.527 0.981 0.500 Li 0.850 0.215 0.286 Li 0.350 0.385 0.114 Mn 0.188 0.600 0.392 Mn 0.785 0.405 0.600 Mn 0.013 1.000 0.008 Mn 0.415 0.195 0.800 O 0.411 0.263 0.950 O 0.789 0.337 0.450 O 0.733 0.488 0.746 O 0.467 0.112 0.654 O 0.120 0.687 0.544 O 0.080 0.913 0.856 O 0.596 0.852 0.356 O 0.604 0.748 0.044 O 0.954 0.108 0.137 O 0.246 0.492 0.263 <coord> |
<forme>-0.08<forme><bg>0.0<bg><abc>4.707 6.448 6.448<abc><angles>82.423 68.591 68.591<angles><comp>Ho1 Ti1 Fe11<comp><coord>Ho 0.006 0.994 0.994 Ti 0.633 0.367 0.367 Fe 0.500 0.998 0.500 Fe 0.002 0.998 0.500 Fe 0.500 0.500 0.998 Fe 0.002 0.500 0.998 Fe 0.727 0.773 0.773 Fe 0.276 0.224 0.224 Fe 0.499 0.779 0.222 Fe 0.499 0.222 0.779 Fe 0.355 0.645 0.645 Fe 1.000 0.357 0.643 Fe 1.000 0.643 0.357 <coord> |
<forme>-0.6<forme><bg>0.0<bg><abc>4.145 4.170 11.149<abc><angles>90.000 100.713 90.000<angles><comp>Nd2 Ni2 Ge6<comp><coord>Nd 0.668 0.500 0.337 Nd 0.332 0.500 0.663 Ni 0.891 0.000 0.781 Ni 0.109 0.000 0.219 Ge 0.943 0.500 0.887 Ge 0.057 0.500 0.113 Ge 0.557 0.000 0.113 Ge 0.443 0.000 0.887 Ge 0.784 0.000 0.568 Ge 0.216 1.000 0.432 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>5.659 7.875 7.875<abc><angles>75.005 68.942 68.942<angles><comp>Y4 Si10 Ni6<comp><coord>Y 0.631 0.106 0.632 Y 0.369 0.894 0.368 Y 0.869 0.368 0.894 Y 0.131 0.632 0.106 Si 0.250 0.000 1.000 Si 0.750 0.000 0.000 Si 0.984 0.266 0.266 Si 0.516 0.734 0.734 Si 0.016 0.734 0.734 Si 0.484 0.266 0.266 Si 0.392 0.455 0.760 Si 0.608 0.545 0.240 Si 0.892 0.760 0.455 Si 0.108 0.240 0.545 Ni 0.634 0.754 0.978 Ni 0.134 0.978 0.754 Ni 0.250 0.500 0.500 Ni 0.750 0.500 0.500 Ni 0.366 0.246 0.022 Ni 0.866 0.022 0.246 <coord> |
<forme>-0.11<forme><bg>0.0<bg><abc>3.774 6.346 6.667<abc><angles>109.661 90.000 107.297<angles><comp>Hf4 Bi2<comp><coord>Hf 0.836 0.672 0.910 Hf 0.164 0.328 0.090 Hf 0.503 0.007 0.235 Hf 0.497 0.993 0.765 Bi 0.157 0.314 0.608 Bi 0.843 0.686 0.392 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>4.235 4.253 8.658<abc><angles>90.000 104.158 90.000<angles><comp>Nd2 Ni2 Ge4<comp><coord>Nd 0.109 0.750 0.217 Nd 0.891 0.250 0.783 Ni 0.319 0.750 0.638 Ni 0.681 0.250 0.362 Ge 0.749 0.750 0.498 Ge 0.458 0.750 0.916 Ge 0.251 0.250 0.502 Ge 0.542 0.250 0.084 <coord> |
<forme>-0.15<forme><bg>0.0<bg><abc>4.039 4.039 4.039<abc><angles>60.000 60.000 60.000<angles><comp>Ga1 Fe2 Co1<comp><coord>Ga 0.000 0.000 0.000 Fe 0.750 0.750 0.750 Fe 0.500 0.500 0.500 Co 0.250 0.250 0.250 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>2.883 4.055 4.667<abc><angles>90.000 90.000 90.000<angles><comp>B4 Ru2<comp><coord>B 0.000 0.364 0.804 B 0.500 0.636 0.696 B 0.000 0.364 0.196 B 0.500 0.636 0.304 Ru 0.000 0.848 0.000 Ru 0.500 0.152 0.500 <coord> |
<forme>-0.63<forme><bg>0.0<bg><abc>4.493 4.493 4.493<abc><angles>60.000 60.000 60.000<angles><comp>Zr1 Sb1 Ru1<comp><coord>Zr 0.000 0.000 0.000 Sb 0.500 0.500 0.500 Ru 0.750 0.750 0.750 <coord> |
<forme>-2.59<forme><bg>1.76<bg><abc>5.330 5.767 7.685<abc><angles>90.000 89.738 90.000<angles><comp>Ho4 Co2 Pt2 O12<comp><coord>Ho 0.475 0.075 0.247 Ho 0.525 0.925 0.753 Ho 0.025 0.575 0.253 Ho 0.975 0.425 0.747 Co 0.500 0.500 0.000 Co 0.000 0.000 0.500 Pt 0.500 0.500 0.500 Pt 0.000 0.000 0.000 O 0.629 0.446 0.251 O 0.371 0.554 0.749 O 0.871 0.946 0.249 O 0.129 0.054 0.751 O 0.316 0.803 0.432 O 0.684 0.197 0.568 O 0.184 0.303 0.068 O 0.816 0.697 0.932 O 0.183 0.311 0.443 O 0.817 0.689 0.557 O 0.317 0.811 0.057 O 0.683 0.189 0.943 <coord> |
<forme>-3.8<forme><bg>0.0<bg><abc>4.470 6.683 7.125<abc><angles>90.000 90.000 90.000<angles><comp>Eu4 F12<comp><coord>Eu 0.943 0.634 0.750 Eu 0.443 0.866 0.250 Eu 0.557 0.134 0.750 Eu 0.057 0.366 0.250 F 0.391 0.165 0.434 F 0.891 0.335 0.566 F 0.109 0.665 0.066 F 0.609 0.835 0.934 F 0.578 0.520 0.250 F 0.078 0.980 0.750 F 0.922 0.020 0.250 F 0.422 0.480 0.750 F 0.391 0.165 0.066 F 0.891 0.335 0.934 F 0.109 0.665 0.434 F 0.609 0.835 0.566 <coord> |
<forme>-1.01<forme><bg>0.0<bg><abc>4.360 7.081 7.197<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Si4 Pt4<comp><coord>Yb 0.250 0.488 0.685 Yb 0.250 0.988 0.815 Yb 0.750 0.512 0.315 Yb 0.750 0.012 0.185 Si 0.250 0.832 0.423 Si 0.250 0.332 0.077 Si 0.750 0.168 0.577 Si 0.750 0.668 0.923 Pt 0.250 0.196 0.395 Pt 0.250 0.696 0.105 Pt 0.750 0.804 0.605 Pt 0.750 0.304 0.895 <coord> |
<forme>-2.36<forme><bg>1.34<bg><abc>5.139 5.476 7.409<abc><angles>84.972 89.460 89.702<angles><comp>Li3 V4 Sn1 O12<comp><coord>Li 0.501 0.937 0.211 Li 0.996 0.424 0.214 Li 0.502 0.936 0.719 V 0.979 0.977 0.019 V 0.513 0.512 0.488 V 0.020 0.001 0.498 V 0.485 0.493 0.012 Sn 0.001 0.421 0.714 O 0.706 0.224 0.582 O 0.884 0.033 0.251 O 0.693 0.838 0.960 O 0.802 0.714 0.586 O 0.192 0.730 0.073 O 0.618 0.539 0.262 O 0.368 0.547 0.758 O 0.826 0.349 0.960 O 0.179 0.344 0.462 O 0.314 0.230 0.076 O 0.116 0.048 0.773 O 0.306 0.843 0.453 <coord> |
<forme>-0.18<forme><bg>0.0<bg><abc>4.165 7.706 7.706<abc><angles>120.000 90.000 90.000<angles><comp>La3 Mg3 Cu3<comp><coord>La 0.000 0.413 0.413 La 1.000 1.000 0.587 La 0.000 0.587 0.000 Mg 0.500 0.761 0.761 Mg 0.500 1.000 0.239 Mg 0.500 0.239 0.000 Cu 0.500 0.667 0.333 Cu 0.500 0.333 0.667 Cu 0.000 0.000 0.000 <coord> |
<forme>-0.14<forme><bg>0.0<bg><abc>3.850 3.850 3.850<abc><angles>90.000 90.000 90.000<angles><comp>Cd1 Ni3 N1<comp><coord>Cd 0.000 0.000 0.000 Ni 0.500 0.500 0.000 Ni 0.500 0.000 0.500 Ni 0.000 0.500 0.500 N 0.500 0.500 0.500 <coord> |
<forme>-0.83<forme><bg>0.0<bg><abc>4.176 4.176 4.176<abc><angles>90.000 90.000 90.000<angles><comp>Lu1 B1 Rh3<comp><coord>Lu 0.000 0.000 0.000 B 0.500 0.500 0.500 Rh 0.000 0.500 0.500 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 <coord> |
<forme>0.02<forme><bg>0.0<bg><abc>5.308 5.313 5.313<abc><angles>75.554 60.036 60.036<angles><comp>Mn1 Fe1 Sn4<comp><coord>Mn 0.500 0.000 0.000 Fe 0.000 0.000 0.000 Sn 0.587 0.826 0.500 Sn 0.913 0.174 0.500 Sn 0.413 0.500 0.174 Sn 0.087 0.500 0.826 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>7.430 7.430 8.441<abc><angles>63.892 63.892 60.000<angles><comp>Yb2 Cu6 Te6<comp><coord>Yb 0.666 0.666 0.001 Yb 0.334 0.334 0.999 Cu 0.533 0.874 0.375 Cu 0.217 0.533 0.375 Cu 0.874 0.217 0.375 Cu 0.126 0.783 0.625 Cu 0.783 0.467 0.625 Cu 0.467 0.126 0.625 Te 0.761 0.085 0.743 Te 0.085 0.411 0.743 Te 0.411 0.761 0.743 Te 0.589 0.239 0.257 Te 0.915 0.589 0.257 Te 0.239 0.915 0.257 <coord> |
<forme>-0.59<forme><bg>0.0<bg><abc>4.093 4.194 13.168<abc><angles>90.000 98.941 90.000<angles><comp>Ce3 Si8 Ni2<comp><coord>Ce 0.000 0.000 0.000 Ce 0.688 0.500 0.376 Ce 0.312 0.500 0.624 Si 0.595 0.000 0.190 Si 0.405 0.000 0.810 Si 0.776 0.000 0.551 Si 0.224 0.000 0.449 Si 0.903 0.500 0.806 Si 0.097 0.500 0.194 Si 0.545 0.500 0.091 Si 0.455 0.500 0.909 Ni 0.866 0.000 0.732 Ni 0.134 1.000 0.268 <coord> |
<forme>-1.16<forme><bg>0.0<bg><abc>4.885 5.412 5.689<abc><angles>118.402 115.429 90.000<angles><comp>Cu2 Pb2 O4<comp><coord>Cu 0.000 0.000 0.000 Cu 0.500 0.500 0.000 Pb 0.262 0.750 0.500 Pb 0.738 0.250 0.500 O 0.834 0.334 0.168 O 0.166 0.666 0.832 O 0.834 0.834 0.168 O 0.166 0.166 0.832 <coord> |
<forme>-0.17<forme><bg>0.61<bg><abc>4.435 4.620 9.806<abc><angles>99.784 98.198 94.869<angles><comp>Ag6 S3<comp><coord>Ag 0.226 0.681 0.816 Ag 0.756 0.117 0.783 Ag 0.894 0.475 0.097 Ag 0.560 0.008 0.472 Ag 0.102 0.451 0.446 Ag 0.487 0.930 0.159 S 0.258 0.219 0.657 S 0.606 0.537 0.316 S 0.985 0.955 0.004 <coord> |
<forme>-2.75<forme><bg>5.03<bg><abc>4.769 4.769 4.769<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Cl2<comp><coord>Ca 0.000 0.000 0.000 Cl 0.750 0.750 0.750 Cl 0.250 0.250 0.250 <coord> |
<forme>-1.05<forme><bg>1.64<bg><abc>5.248 8.289 8.289<abc><angles>103.083 90.000 90.000<angles><comp>Rb2 Cu4 Br6<comp><coord>Rb 0.250 0.692 0.308 Rb 0.750 0.308 0.692 Cu 0.000 0.167 0.167 Cu 0.500 0.167 0.167 Cu 0.500 0.833 0.833 Cu 0.000 0.833 0.833 Br 0.250 0.161 0.414 Br 0.250 0.110 0.890 Br 0.750 0.839 0.586 Br 0.250 0.586 0.839 Br 0.750 0.890 0.110 Br 0.750 0.414 0.161 <coord> |
<forme>-0.5<forme><bg>0.0<bg><abc>6.662 7.680 8.974<abc><angles>96.863 111.787 90.000<angles><comp>Ca10 Pd4<comp><coord>Ca 0.201 0.919 0.182 Ca 0.019 0.581 0.818 Ca 0.799 0.081 0.818 Ca 0.981 0.419 0.182 Ca 0.798 0.820 0.434 Ca 0.363 0.680 0.566 Ca 0.202 0.180 0.566 Ca 0.637 0.320 0.434 Ca 0.579 0.750 0.000 Ca 0.421 0.250 0.000 Pd 0.404 0.581 0.221 Pd 0.184 0.919 0.779 Pd 0.596 0.419 0.779 Pd 0.816 0.081 0.221 <coord> |
<forme>-0.02<forme><bg>0.0<bg><abc>3.448 5.714 5.714<abc><angles>120.000 90.000 90.000<angles><comp>Tl1 Bi2<comp><coord>Tl 0.000 0.000 0.000 Bi 0.500 0.333 0.667 Bi 0.500 0.667 0.333 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.649 4.649 4.649<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Ga1 Cu2<comp><coord>Pm 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Cu 0.250 0.250 0.250 Cu 0.750 0.750 0.750 <coord> |
<forme>-0.95<forme><bg>0.0<bg><abc>7.779 8.449 7.798<abc><angles>90.000 90.000 117.411<angles><comp>Er10 Si4 Sb4<comp><coord>Er 0.961 0.252 0.664 Er 0.039 0.748 0.336 Er 0.539 0.748 0.164 Er 0.210 0.748 0.836 Er 0.461 0.252 0.836 Er 0.790 0.252 0.164 Er 0.290 0.252 0.336 Er 0.710 0.748 0.664 Er 0.000 0.000 0.000 Er 0.500 0.000 0.500 Si 0.635 0.000 0.866 Si 0.365 0.000 0.134 Si 0.865 0.000 0.366 Si 0.135 1.000 0.634 Sb 0.205 0.411 1.000 Sb 0.795 0.589 1.000 Sb 0.295 0.589 0.500 Sb 0.705 0.411 0.500 <coord> |
<forme>-0.53<forme><bg>0.0<bg><abc>4.089 4.089 9.202<abc><angles>90.000 90.000 90.000<angles><comp>U2 Ni3 As4<comp><coord>U 0.750 0.750 0.750 U 0.250 0.250 0.251 Ni 0.750 0.250 0.500 Ni 0.250 0.750 0.500 Ni 0.750 0.750 0.115 As 0.750 0.750 0.365 As 0.250 0.250 0.646 As 0.750 0.250 0.991 As 0.250 0.750 0.991 <coord> |
<forme>-2.06<forme><bg>1.84<bg><abc>4.384 4.384 5.668<abc><angles>112.751 112.751 90.000<angles><comp>Li2 In2 O4<comp><coord>Li 0.000 0.000 0.000 Li 0.750 0.250 0.500 In 0.250 0.750 0.500 In 0.500 0.500 0.000 O 0.268 0.268 0.535 O 0.018 0.518 0.035 O 0.732 0.732 0.465 O 0.482 0.982 0.965 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.095 5.257 5.416<abc><angles>119.031 112.215 90.000<angles><comp>Yb2 Ga1 Ni2<comp><coord>Yb 0.199 0.699 0.399 Yb 0.801 0.301 0.601 Ga 0.000 0.000 0.000 Ni 0.500 0.262 0.000 Ni 0.500 0.738 1.000 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>4.706 4.706 15.280<abc><angles>90.000 90.000 120.000<angles><comp>K4<comp><coord>K 0.000 0.000 0.000 K 0.667 0.333 0.250 K 0.000 0.000 0.500 K 0.333 0.667 0.750 <coord> |
<forme>-2.43<forme><bg>6.55<bg><abc>5.191 5.191 9.148<abc><angles>73.518 73.518 60.000<angles><comp>He4 Si4 O8<comp><coord>He 0.680 0.680 0.960 He 0.320 0.320 0.040 He 0.180 0.180 0.460 He 0.820 0.820 0.540 Si 0.938 0.938 0.187 Si 0.062 0.062 0.813 Si 0.438 0.438 0.687 Si 0.562 0.562 0.313 O 0.000 0.000 0.000 O 0.500 0.500 0.500 O 0.250 0.694 0.250 O 0.806 0.250 0.250 O 0.694 0.806 0.250 O 0.750 0.306 0.750 O 0.194 0.750 0.750 O 0.306 0.194 0.750 <coord> |
<forme>-1.56<forme><bg>0.0<bg><abc>5.069 5.081 9.666<abc><angles>90.070 90.141 60.080<angles><comp>Mn5 Cu1 O12<comp><coord>Mn 0.167 0.667 0.500 Mn 0.667 0.666 0.000 Mn 0.333 0.334 0.000 Mn 0.833 0.333 0.500 Mn 0.500 0.000 0.500 Cu 0.000 0.000 0.000 O 0.000 0.663 0.100 O 0.337 0.663 0.900 O 0.166 0.333 0.401 O 0.500 0.667 0.401 O 0.500 0.333 0.599 O 0.167 0.000 0.599 O 0.834 0.667 0.599 O 0.663 0.337 0.100 O 0.334 0.000 0.099 O 1.000 0.337 0.900 O 0.666 0.000 0.901 O 0.833 0.000 0.401 <coord> |
<forme>-0.49<forme><bg>0.0<bg><abc>4.196 4.314 13.317<abc><angles>99.320 99.063 90.000<angles><comp>Yb3 Ga8<comp><coord>Yb 0.851 0.351 0.702 Yb 0.149 0.649 0.298 Yb 0.000 0.000 0.000 Ga 0.250 0.250 0.500 Ga 0.750 0.750 0.500 Ga 0.595 0.095 0.190 Ga 0.405 0.905 0.810 Ga 0.691 0.191 0.382 Ga 0.309 0.809 0.618 Ga 0.451 0.451 0.903 Ga 0.549 0.549 0.097 <coord> |
<forme>-2.96<forme><bg>4.43<bg><abc>3.277 4.050 6.718<abc><angles>90.000 104.114 90.000<angles><comp>Sc2 H2 O4<comp><coord>Sc 0.324 0.751 0.649 Sc 0.676 0.251 0.351 H 0.984 0.565 0.968 H 0.016 0.065 0.032 O 0.716 0.750 0.431 O 0.284 0.250 0.569 O 0.931 0.744 0.862 O 0.069 0.244 0.138 <coord> |
<forme>-0.37<forme><bg>0.0<bg><abc>5.245 5.245 5.245<abc><angles>60.000 60.000 60.000<angles><comp>Pm2 Cd1 Si1<comp><coord>Pm 0.750 0.750 0.750 Pm 0.250 0.250 0.250 Cd 0.500 0.500 0.500 Si 0.000 0.000 0.000 <coord> |
<forme>-0.03<forme><bg>0.0<bg><abc>3.203 5.886 7.377<abc><angles>104.701 90.000 105.789<angles><comp>Li2 Mg4<comp><coord>Li 0.472 0.945 0.195 Li 0.528 0.055 0.805 Mg 0.192 0.384 0.136 Mg 0.861 0.723 0.471 Mg 0.139 0.277 0.529 Mg 0.808 0.616 0.864 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.985 3.985 3.985<abc><angles>60.000 60.000 60.000<angles><comp>Cr1 Co2 Si1<comp><coord>Cr 0.000 0.000 0.000 Co 0.750 0.750 0.750 Co 0.250 0.250 0.250 Si 0.500 0.500 0.500 <coord> |
<forme>-1.07<forme><bg>0.9<bg><abc>8.300 8.300 8.300<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Pt1 I6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Pt 0.000 0.000 0.000 I 0.231 0.769 0.769 I 0.231 0.769 0.231 I 0.231 0.231 0.769 I 0.769 0.231 0.231 I 0.769 0.769 0.231 I 0.769 0.231 0.769 <coord> |
<forme>-0.74<forme><bg>0.0<bg><abc>5.458 5.464 6.816<abc><angles>90.000 113.604 90.000<angles><comp>Ba2 Fe4 As1 P3<comp><coord>Ba 0.497 0.500 0.994 Ba 0.998 0.000 0.995 Fe 0.505 0.246 0.503 Fe 0.998 0.754 0.503 Fe 0.998 0.246 0.503 Fe 0.505 0.754 0.503 As 0.151 0.500 0.303 P 0.663 0.000 0.325 P 0.336 1.000 0.673 P 0.836 0.500 0.671 <coord> |
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