Split (1)

train · 45.2k rows

text stringlengths 140 560
<forme>-2.27<forme><bg>4.07<bg><abc>5.214 5.214 6.646<abc><angles>66.906 66.906 60.000<angles><comp>K2 Mg1 C2 O6<comp><coord>K 0.789 0.789 0.634 K 0.211 0.211 0.366 Mg 0.000 0.000 0.000 C 0.597 0.597 0.208 C 0.403 0.403 0.792 O 0.692 0.260 0.788 O 0.260 0.260 0.788 O 0.260 0.692 0.788 O 0.740 0.308 0.212 O 0.740 0.740 0.212 O 0.308 0.740 0.212 <coord>
<forme>-0.9<forme><bg>0.0<bg><abc>4.527 4.527 9.319<abc><angles>104.058 104.058 90.000<angles><comp>Sm4 Sb2<comp><coord>Sm 0.000 0.500 0.000 Sm 0.500 0.000 0.000 Sm 0.821 0.821 0.643 Sm 0.179 0.179 0.357 Sb 0.638 0.638 0.277 Sb 0.362 0.362 0.723 <coord>
<forme>-1.24<forme><bg>0.0<bg><abc>4.216 4.216 12.165<abc><angles>90.000 90.000 120.000<angles><comp>La2 Si2 I2<comp><coord>La 0.000 0.000 0.830 La 0.000 0.000 0.170 Si 0.667 0.333 0.993 Si 0.333 0.667 0.007 I 0.667 0.333 0.351 I 0.333 0.667 0.649 <coord>
<forme>-0.66<forme><bg>0.0<bg><abc>3.142 3.281 14.541<abc><angles>96.478 90.000 90.000<angles><comp>Nb6 B6 C2<comp><coord>Nb 0.750 0.453 0.906 Nb 0.250 0.547 0.094 Nb 0.750 0.787 0.575 Nb 0.250 0.213 0.425 Nb 0.250 0.362 0.724 Nb 0.750 0.638 0.276 B 0.750 0.015 0.031 B 0.250 0.985 0.969 B 0.750 0.888 0.776 B 0.250 0.112 0.224 B 0.750 0.079 0.158 B 0.250 0.921 0.842 C 0.750 0.712 0.424 C 0.250 0.288 0.576 <coord>
<forme>-2.58<forme><bg>4.4<bg><abc>6.355 6.355 6.960<abc><angles>103.841 103.841 96.133<angles><comp>K2 Tm2 C4 O12<comp><coord>K 0.380 0.620 0.750 K 0.620 0.380 0.250 Tm 0.904 0.096 0.750 Tm 0.096 0.904 0.250 C 0.354 0.109 0.755 C 0.646 0.891 0.245 C 0.891 0.646 0.745 C 0.109 0.354 0.255 O 0.559 0.105 0.778 O 0.441 0.895 0.222 O 0.895 0.441 0.722 O 0.105 0.559 0.278 O 0.282 0.248 0.882 O 0.718 0.752 0.118 O 0.752 0.718 0.618 O 0.248 0.282 0.382 O 0.201 0.967 0.603 O 0.799 0.033 0.397 O 0.033 0.799 0.897 O 0.967 0.201 0.103 <coord>
<forme>0.05<forme><bg>0.0<bg><abc>8.461 9.110 8.461<abc><angles>117.672 90.000 117.672<angles><comp>In8 Bi6 Pb2<comp><coord>In 0.014 0.331 0.817 In 0.317 0.331 0.514 In 0.514 0.331 0.014 In 0.817 0.331 0.317 In 0.986 0.669 0.183 In 0.683 0.669 0.486 In 0.486 0.669 0.986 In 0.183 0.669 0.683 Bi 0.250 0.500 0.250 Bi 0.750 0.500 0.750 Bi 0.638 0.000 0.862 Bi 0.362 1.000 0.138 Bi 0.138 0.000 0.638 Bi 0.862 0.000 0.362 Pb 0.000 0.000 0.000 Pb 0.500 0.000 0.500 <coord>
<forme>-2.21<forme><bg>0.0<bg><abc>5.948 5.948 5.948<abc><angles>60.938 60.938 60.938<angles><comp>Li2 Cr3 Sn1 O8<comp><coord>Li 0.123 0.123 0.123 Li 0.497 0.497 0.497 Cr 0.017 0.497 0.497 Cr 0.497 0.497 0.017 Cr 0.497 0.017 0.497 Sn 0.886 0.886 0.886 O 0.262 0.262 0.262 O 0.246 0.716 0.246 O 0.246 0.246 0.716 O 0.716 0.246 0.246 O 0.288 0.740 0.740 O 0.740 0.740 0.288 O 0.740 0.288 0.740 O 0.745 0.745 0.745 <coord>
<forme>-1.09<forme><bg>1.42<bg><abc>4.726 4.726 4.726<abc><angles>90.000 90.000 90.000<angles><comp>Ca3 P1 N1<comp><coord>Ca 0.500 0.000 0.500 Ca 0.500 0.500 0.000 Ca 0.000 0.500 0.500 P 0.000 0.000 0.000 N 0.500 0.500 0.500 <coord>
<forme>0.03<forme><bg>0.0<bg><abc>6.338 7.704 7.704<abc><angles>60.000 90.000 90.000<angles><comp>Yb6 Eu2<comp><coord>Yb 0.750 0.666 0.167 Yb 0.750 0.167 0.167 Yb 0.750 0.167 0.666 Yb 0.250 0.334 0.833 Yb 0.250 0.833 0.833 Yb 0.250 0.833 0.334 Eu 0.250 0.333 0.333 Eu 0.750 0.667 0.667 <coord>
<forme>-2.44<forme><bg>0.0<bg><abc>3.883 5.341 9.798<abc><angles>90.000 90.000 111.316<angles><comp>Li4 Cu2 F10<comp><coord>Li 0.369 0.738 0.930 Li 0.369 0.738 0.570 Li 0.631 0.262 0.430 Li 0.631 0.262 0.070 Cu 0.308 0.615 0.250 Cu 0.692 0.385 0.750 F 0.441 0.882 0.385 F 0.441 0.882 0.115 F 0.223 0.446 0.750 F 0.181 0.363 0.398 F 0.181 0.363 0.102 F 0.819 0.637 0.898 F 0.819 0.637 0.602 F 0.777 0.554 0.250 F 0.559 0.118 0.885 F 0.559 0.118 0.615 <coord>
<forme>-0.55<forme><bg>0.0<bg><abc>4.432 4.448 16.742<abc><angles>90.000 90.000 90.000<angles><comp>Tb4 Co1 Sn8<comp><coord>Tb 0.250 0.000 0.099 Tb 0.250 0.500 0.604 Tb 0.750 0.500 0.397 Tb 0.750 0.000 0.900 Co 0.250 0.000 0.308 Sn 0.250 0.000 0.454 Sn 0.250 0.500 0.937 Sn 0.750 0.500 0.062 Sn 0.750 0.000 0.572 Sn 0.250 0.500 0.238 Sn 0.250 0.000 0.748 Sn 0.750 0.000 0.239 Sn 0.750 0.500 0.753 <coord>
<forme>-2.77<forme><bg>2.84<bg><abc>4.194 5.775 5.855<abc><angles>88.521 88.906 89.298<angles><comp>Zr1 Ti1 Pb2 O6<comp><coord>Zr 0.772 0.643 0.919 Ti 0.745 0.138 0.411 Pb 0.224 0.622 0.385 Pb 0.229 0.136 0.862 O 0.811 0.392 0.685 O 0.800 0.906 0.203 O 0.283 0.659 0.960 O 0.310 0.157 0.446 O 0.806 0.404 0.209 O 0.810 0.921 0.687 <coord>
<forme>-1.17<forme><bg>1.17<bg><abc>7.425 7.425 7.425<abc><angles>109.124 109.124 110.167<angles><comp>K2 Ba1 Sn1 Te4<comp><coord>K 0.500 0.000 0.500 K 0.000 0.500 0.500 Ba 0.500 0.500 0.000 Sn 0.000 0.000 0.000 Te 0.620 0.999 0.000 Te 0.999 0.620 0.000 Te 0.380 0.380 0.379 Te 0.001 0.001 0.621 <coord>
<forme>-0.67<forme><bg>0.0<bg><abc>4.342 4.342 7.777<abc><angles>106.210 106.210 90.000<angles><comp>K1 Mn1 Te2<comp><coord>K 0.000 0.000 0.000 Mn 0.750 0.250 0.500 Te 0.355 0.355 0.711 Te 0.645 0.645 0.289 <coord>
<forme>-0.67<forme><bg>0.0<bg><abc>3.973 3.973 3.973<abc><angles>90.000 90.000 90.000<angles><comp>Zr1 Rh3<comp><coord>Zr 0.000 0.000 0.000 Rh 0.500 0.500 0.000 Rh 0.500 0.000 0.500 Rh 0.000 0.500 0.500 <coord>
<forme>-2.85<forme><bg>3.65<bg><abc>6.561 6.647 6.561<abc><angles>119.574 90.000 119.574<angles><comp>Rb3 Fe1 F6<comp><coord>Rb 0.250 0.500 0.750 Rb 0.750 0.500 0.250 Rb 0.500 0.000 0.500 Fe 0.000 0.000 0.000 F 1.000 0.000 0.296 F 1.000 0.000 0.704 F 0.704 0.000 0.000 F 0.296 1.000 1.000 F 0.786 0.572 0.786 F 0.214 0.428 0.214 <coord>
<forme>-1.63<forme><bg>1.44<bg><abc>6.454 7.127 6.835<abc><angles>90.000 82.549 90.000<angles><comp>Sm4 Cu4 S8<comp><coord>Sm 0.192 0.049 0.200 Sm 0.808 0.549 0.300 Sm 0.808 0.951 0.800 Sm 0.192 0.451 0.700 Cu 0.577 0.338 0.950 Cu 0.423 0.662 0.050 Cu 0.423 0.838 0.550 Cu 0.577 0.162 0.450 S 0.919 0.274 0.998 S 0.081 0.774 0.502 S 0.081 0.726 0.002 S 0.919 0.226 0.498 S 0.591 0.886 0.221 S 0.591 0.614 0.721 S 0.409 0.114 0.779 S 0.409 0.386 0.279 <coord>
<forme>-0.39<forme><bg>0.0<bg><abc>3.498 6.338 15.432<abc><angles>90.000 90.000 90.000<angles><comp>Te8 W4<comp><coord>Te 0.500 0.792 0.912 Te 0.000 0.208 0.412 Te 0.500 0.699 0.372 Te 0.000 0.301 0.872 Te 0.000 0.859 0.643 Te 0.500 0.141 0.143 Te 0.000 0.649 0.103 Te 0.500 0.351 0.603 W 0.500 0.958 0.514 W 0.000 0.042 0.014 W 0.500 0.399 0.001 W 0.000 0.601 0.501 <coord>
<forme>-0.2<forme><bg>0.0<bg><abc>6.358 9.928 9.929<abc><angles>119.999 90.000 90.000<angles><comp>Nd14 Ni6<comp><coord>Nd 0.464 0.667 0.333 Nd 0.964 0.333 0.667 Nd 0.251 0.875 0.749 Nd 0.251 0.875 0.125 Nd 0.251 0.251 0.125 Nd 0.751 0.125 0.251 Nd 0.751 0.125 0.875 Nd 0.751 0.749 0.875 Nd 0.436 0.461 0.921 Nd 0.436 0.461 0.539 Nd 0.436 0.079 0.539 Nd 0.936 0.539 0.079 Nd 0.936 0.539 0.461 Nd 0.936 0.921 0.461 Ni 0.190 0.188 0.376 Ni 0.190 0.188 0.812 Ni 0.190 0.624 0.812 Ni 0.690 0.812 0.624 Ni 0.690 0.812 0.188 Ni 0.690 0.376 0.188 <coord>
<forme>-0.25<forme><bg>0.0<bg><abc>3.860 3.860 3.860<abc><angles>90.000 90.000 90.000<angles><comp>Fe3 Pt1 N1<comp><coord>Fe 0.000 0.500 0.500 Fe 0.500 0.000 0.500 Fe 0.500 0.500 0.000 Pt 0.000 0.000 0.000 N 0.500 0.500 0.500 <coord>
<forme>-1.65<forme><bg>2.99<bg><abc>7.945 7.945 7.945<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Li1 Bi1 Br6<comp><coord>Rb 0.250 0.250 0.250 Rb 0.750 0.750 0.750 Li 0.500 0.500 0.500 Bi 0.000 0.000 0.000 Br 0.255 0.745 0.255 Br 0.255 0.255 0.745 Br 0.745 0.255 0.745 Br 0.255 0.745 0.745 Br 0.745 0.255 0.255 Br 0.745 0.745 0.255 <coord>
<forme>-0.34<forme><bg>0.0<bg><abc>3.027 4.320 5.711<abc><angles>90.000 90.000 90.000<angles><comp>Mn2 Re2 B4<comp><coord>Mn 0.000 0.132 0.684 Mn 0.000 0.868 0.184 Re 0.500 0.367 0.323 Re 0.500 0.633 0.823 B 0.000 0.660 0.530 B 0.000 0.340 0.030 B 0.500 0.877 0.463 B 0.500 0.123 0.963 <coord>
<forme>-0.27<forme><bg>0.0<bg><abc>5.116 7.200 7.200<abc><angles>120.000 90.000 90.000<angles><comp>Ac2 Cd6<comp><coord>Ac 0.250 0.667 0.333 Ac 0.750 0.333 0.667 Cd 0.750 0.850 0.150 Cd 0.750 0.300 0.150 Cd 0.750 0.850 0.700 Cd 0.250 0.150 0.850 Cd 0.250 0.700 0.850 Cd 0.250 0.150 0.300 <coord>
<forme>-2.39<forme><bg>5.72<bg><abc>4.711 4.711 7.309<abc><angles>87.460 87.460 65.056<angles><comp>Na1 Al1 S2 O8<comp><coord>Na 0.000 0.000 0.500 Al 0.000 0.000 0.000 S 0.637 0.637 0.211 S 0.363 0.363 0.789 O 0.701 0.701 0.393 O 0.299 0.299 0.607 O 0.769 0.289 0.188 O 0.231 0.711 0.812 O 0.711 0.231 0.812 O 0.289 0.769 0.188 O 0.770 0.770 0.060 O 0.230 0.230 0.940 <coord>
<forme>-2.72<forme><bg>1.31<bg><abc>5.753 6.072 6.145<abc><angles>101.324 99.011 100.040<angles><comp>V6 O7 F5<comp><coord>V 0.701 0.865 0.390 V 0.158 0.618 0.350 V 0.402 0.673 0.851 V 0.599 0.324 0.141 V 0.848 0.399 0.661 V 0.315 0.132 0.594 O 0.068 0.902 0.358 O 0.437 0.818 0.584 O 0.403 0.582 0.176 O 0.814 0.570 0.419 O 0.181 0.420 0.567 O 0.580 0.420 0.827 O 0.572 0.171 0.407 F 0.675 0.906 0.063 F 0.062 0.677 0.882 F 0.947 0.348 0.103 F 0.328 0.091 0.922 F 0.902 0.085 0.685 <coord>
<forme>-2.61<forme><bg>3.65<bg><abc>4.866 5.512 6.075<abc><angles>96.605 96.111 98.059<angles><comp>Li4 Cr1 P2 O8<comp><coord>Li 0.155 0.297 0.567 Li 0.329 0.560 0.171 Li 0.672 0.440 0.829 Li 0.845 0.703 0.433 Cr 0.001 0.000 0.000 P 0.378 0.792 0.709 P 0.622 0.208 0.291 O 0.265 0.602 0.862 O 0.259 0.684 0.467 O 0.295 0.184 0.262 O 0.281 0.047 0.773 O 0.719 0.953 0.227 O 0.705 0.816 0.738 O 0.741 0.315 0.533 O 0.734 0.398 0.138 <coord>
<forme>-2.34<forme><bg>0.0<bg><abc>5.465 5.786 7.776<abc><angles>90.000 90.538 90.000<angles><comp>Eu4 Co2 Ru2 O12<comp><coord>Eu 0.983 0.567 0.251 Eu 0.017 0.433 0.749 Eu 0.517 0.067 0.249 Eu 0.483 0.933 0.751 Co 0.000 0.000 0.500 Co 0.500 0.500 0.000 Ru 0.000 0.000 0.000 Ru 0.500 0.500 0.500 O 0.815 0.291 0.053 O 0.185 0.709 0.947 O 0.685 0.791 0.447 O 0.315 0.209 0.553 O 0.701 0.811 0.046 O 0.299 0.189 0.954 O 0.799 0.311 0.454 O 0.201 0.689 0.546 O 0.097 0.970 0.246 O 0.903 0.030 0.754 O 0.403 0.470 0.254 O 0.597 0.530 0.746 <coord>
<forme>-2.95<forme><bg>3.08<bg><abc>4.848 4.848 8.844<abc><angles>90.000 90.000 90.000<angles><comp>Li2 V2 F12<comp><coord>Li 0.000 0.000 0.348 Li 0.500 0.500 0.848 V 0.000 0.000 0.996 V 0.500 0.500 0.496 F 0.177 0.823 0.149 F 0.197 0.803 0.859 F 0.235 0.765 0.488 F 0.265 0.265 0.988 F 0.303 0.303 0.359 F 0.323 0.323 0.649 F 0.697 0.697 0.359 F 0.677 0.677 0.649 F 0.735 0.735 0.988 F 0.765 0.235 0.488 F 0.823 0.177 0.149 F 0.803 0.197 0.859 <coord>
<forme>-0.1<forme><bg>0.0<bg><abc>2.514 2.514 4.020<abc><angles>90.000 90.000 107.854<angles><comp>V1 Fe1<comp><coord>V 0.500 0.500 0.500 Fe 0.000 0.000 0.000 <coord>
<forme>-0.16<forme><bg>0.0<bg><abc>5.725 5.725 5.725<abc><angles>60.000 60.000 60.000<angles><comp>Na1 Eu2 Tl1<comp><coord>Na 0.500 0.500 0.500 Eu 0.750 0.750 0.750 Eu 0.250 0.250 0.250 Tl 0.000 0.000 0.000 <coord>
<forme>-0.83<forme><bg>0.0<bg><abc>4.512 4.512 7.874<abc><angles>90.000 90.000 120.000<angles><comp>Nd2 Ge2 Au2<comp><coord>Nd 0.000 0.000 0.249 Nd 0.000 0.000 0.749 Ge 0.333 0.667 0.031 Ge 0.667 0.333 0.531 Au 0.333 0.667 0.481 Au 0.667 0.333 0.981 <coord>
<forme>-2.47<forme><bg>2.64<bg><abc>4.539 4.539 5.366<abc><angles>115.024 115.024 90.000<angles><comp>Fe1 Li1 O4 Si1<comp><coord>Fe 0.250 0.750 0.500 Li 0.500 0.500 0.000 O 0.654 0.709 0.783 O 0.291 0.870 0.217 O 0.130 0.075 0.783 O 0.925 0.346 0.217 Si 0.000 0.000 0.000 <coord>
<forme>-0.86<forme><bg>0.0<bg><abc>4.351 8.806 9.550<abc><angles>117.456 103.167 90.000<angles><comp>Dy4 Ge8 Pt4<comp><coord>Dy 0.203 0.703 0.405 Dy 0.000 0.280 0.000 Dy 0.000 0.720 0.000 Dy 0.797 0.297 0.595 Ge 0.575 0.075 0.149 Ge 0.425 0.925 0.851 Ge 0.425 0.425 0.850 Ge 0.199 0.351 0.398 Ge 0.575 0.575 0.150 Ge 0.199 0.048 0.398 Ge 0.801 0.649 0.602 Ge 0.801 0.952 0.602 Pt 0.648 0.397 0.296 Pt 0.352 0.603 0.704 Pt 0.648 0.899 0.296 Pt 0.352 0.101 0.704 <coord>
<forme>-0.44<forme><bg>0.0<bg><abc>6.318 9.817 9.817<abc><angles>84.057 71.230 71.230<angles><comp>Tl8 Te8<comp><coord>Tl 0.579 0.149 0.693 Tl 0.421 0.851 0.307 Tl 0.728 0.693 0.851 Tl 0.272 0.307 0.149 Tl 0.921 0.307 0.851 Tl 0.228 0.851 0.693 Tl 0.772 0.149 0.307 Tl 0.079 0.693 0.149 Te 0.750 0.000 0.000 Te 0.250 0.000 0.000 Te 0.500 0.500 0.500 Te 0.000 0.500 0.500 Te 0.837 0.825 0.500 Te 0.663 0.500 0.175 Te 0.337 0.500 0.825 Te 0.163 0.175 0.500 <coord>
<forme>-1.89<forme><bg>0.0<bg><abc>3.347 5.900 5.900<abc><angles>109.649 90.000 90.000<angles><comp>Ca2 Ag2 O4<comp><coord>Ca 1.000 0.500 0.000 Ca 1.000 0.000 0.500 Ag 0.500 0.500 0.500 Ag 0.500 0.000 0.000 O 0.500 0.223 0.777 O 0.000 0.709 0.709 O 1.000 0.291 0.291 O 0.500 0.777 0.223 <coord>
<forme>-0.47<forme><bg>0.0<bg><abc>4.345 4.345 4.345<abc><angles>60.000 60.000 60.000<angles><comp>Mg1 Ga1 Ir2<comp><coord>Mg 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Ir 0.750 0.750 0.750 Ir 0.250 0.250 0.250 <coord>
<forme>-0.69<forme><bg>0.0<bg><abc>4.016 7.549 7.549<abc><angles>120.000 90.000 90.000<angles><comp>Gd3 In3 Ir3<comp><coord>Gd 1.000 0.593 1.000 Gd 0.000 0.407 0.407 Gd 1.000 0.000 0.593 In 0.500 0.000 0.255 In 0.500 0.255 0.000 In 0.500 0.745 0.745 Ir 0.000 0.000 0.000 Ir 0.500 0.667 0.333 Ir 0.500 0.333 0.667 <coord>
<forme>-2.7<forme><bg>0.0<bg><abc>3.865 3.865 6.859<abc><angles>106.366 106.366 90.000<angles><comp>Sr2 Mn1 O4<comp><coord>Sr 0.644 0.644 0.288 Sr 0.356 0.356 0.712 Mn 0.000 0.000 0.000 O 0.844 0.844 0.687 O 0.156 0.156 0.313 O 0.500 0.000 0.000 O 0.000 0.500 0.000 <coord>
<forme>-0.61<forme><bg>0.0<bg><abc>4.336 4.336 6.337<abc><angles>110.003 110.003 90.000<angles><comp>Pr1 Ga3 Au1<comp><coord>Pr 0.988 0.988 0.976 Ga 0.750 0.250 0.500 Ga 0.250 0.750 0.500 Ga 0.392 0.392 0.785 Au 0.620 0.620 0.239 <coord>
<forme>-1.11<forme><bg>0.0<bg><abc>3.965 3.965 9.156<abc><angles>90.000 90.000 90.000<angles><comp>Li2 Cu6 O6<comp><coord>Li 0.000 0.500 0.745 Li 0.500 0.000 0.255 Cu 0.000 0.000 0.000 Cu 0.000 0.000 0.500 Cu 0.500 0.000 0.789 Cu 0.000 0.500 0.211 Cu 0.500 0.500 0.000 Cu 0.500 0.500 0.500 O 0.000 0.000 0.203 O 0.000 0.000 0.797 O 0.000 0.500 0.512 O 0.500 0.000 0.488 O 0.500 0.500 0.203 O 0.500 0.500 0.797 <coord>
<forme>-1.51<forme><bg>1.2<bg><abc>5.811 5.811 5.811<abc><angles>60.000 60.000 60.000<angles><comp>K1 Ac1 Te2<comp><coord>K 0.000 0.000 0.000 Ac 0.500 0.500 0.500 Te 0.250 0.250 0.250 Te 0.750 0.750 0.750 <coord>
<forme>-0.54<forme><bg>0.53<bg><abc>4.110 9.579 10.103<abc><angles>90.000 90.000 90.000<angles><comp>Cu4 Hg4 S4 Br4<comp><coord>Cu 0.000 0.207 0.076 Cu 0.000 0.207 0.424 Cu 0.000 0.793 0.576 Cu 0.000 0.793 0.924 Hg 0.500 0.780 0.250 Hg 0.500 0.220 0.750 Hg 0.500 0.500 0.500 Hg 0.500 0.500 0.000 S 0.500 0.245 0.991 S 0.500 0.245 0.509 S 0.500 0.755 0.009 S 0.500 0.755 0.491 Br 0.000 0.550 0.750 Br 0.000 0.450 0.250 Br 0.000 0.972 0.750 Br 0.000 0.028 0.250 <coord>
<forme>-0.31<forme><bg>0.0<bg><abc>4.928 4.928 4.928<abc><angles>60.000 60.000 60.000<angles><comp>Er1 Mg1 Ag2<comp><coord>Er 0.500 0.500 0.500 Mg 0.000 0.000 0.000 Ag 0.250 0.250 0.250 Ag 0.750 0.750 0.750 <coord>
<forme>-0.52<forme><bg>0.0<bg><abc>3.660 3.698 7.498<abc><angles>75.722 90.000 90.000<angles><comp>Hf2 Si4<comp><coord>Hf 0.250 0.895 0.210 Hf 0.750 0.105 0.790 Si 0.250 0.555 0.891 Si 0.750 0.445 0.109 Si 0.250 0.250 0.499 Si 0.750 0.750 0.501 <coord>
<forme>-2.77<forme><bg>0.0<bg><abc>3.095 5.189 10.112<abc><angles>90.000 90.000 107.352<angles><comp>Ca2 V4 O8<comp><coord>Ca 0.386 0.771 0.250 Ca 0.614 0.229 0.750 V 0.868 0.736 0.930 V 0.132 0.264 0.070 V 0.868 0.736 0.570 V 0.132 0.264 0.430 O 0.232 0.463 0.607 O 0.768 0.537 0.393 O 0.768 0.537 0.107 O 0.232 0.463 0.893 O 0.933 0.866 0.750 O 0.067 0.134 0.250 O 0.500 1.000 0.000 O 0.500 1.000 0.500 <coord>
<forme>-1.11<forme><bg>0.0<bg><abc>5.413 5.413 5.413<abc><angles>90.000 90.000 90.000<angles><comp>K1 Au1 Br3<comp><coord>K 0.500 0.500 0.500 Au 0.000 0.000 0.000 Br 0.500 0.000 0.000 Br 0.000 0.000 0.500 Br 0.000 0.500 0.000 <coord>
<forme>-1.6<forme><bg>0.0<bg><abc>3.950 3.950 3.950<abc><angles>60.000 60.000 60.000<angles><comp>Tm1 P1<comp><coord>Tm 0.000 0.000 0.000 P 0.500 0.500 0.500 <coord>
<forme>-2.61<forme><bg>4.94<bg><abc>5.217 5.217 7.138<abc><angles>90.925 90.925 119.612<angles><comp>Al2 Si2 H4 O9<comp><coord>Al 0.659 0.988 0.518 Al 0.988 0.659 0.518 Si 0.678 0.337 0.129 Si 0.337 0.678 0.129 H 0.117 0.117 0.354 H 0.604 0.604 0.760 H 0.341 0.987 0.779 H 0.987 0.341 0.779 O 0.493 0.003 0.034 O 0.003 0.493 0.034 O 0.506 0.506 0.051 O 0.325 0.703 0.355 O 0.703 0.325 0.355 O 0.932 0.932 0.365 O 0.330 0.947 0.644 O 0.947 0.330 0.644 O 0.718 0.718 0.655 <coord>
<forme>-2.69<forme><bg>2.91<bg><abc>6.349 6.349 6.939<abc><angles>76.097 76.097 70.853<angles><comp>Tb2 Mo2 Cl2 O8<comp><coord>Tb 0.778 0.778 0.112 Tb 0.222 0.222 0.888 Mo 0.638 0.638 0.731 Mo 0.362 0.362 0.269 Cl 0.990 0.990 0.766 Cl 0.010 0.010 0.234 O 0.706 0.706 0.465 O 0.491 0.111 0.152 O 0.294 0.294 0.535 O 0.542 0.542 0.203 O 0.889 0.509 0.848 O 0.111 0.491 0.152 O 0.509 0.889 0.848 O 0.458 0.458 0.797 <coord>
<forme>-0.63<forme><bg>0.0<bg><abc>4.229 4.229 15.267<abc><angles>90.000 90.000 120.000<angles><comp>Tm4 Zn4 Ge4<comp><coord>Tm 0.000 0.000 0.750 Tm 0.000 0.000 0.250 Tm 0.000 0.000 0.000 Tm 0.000 0.000 0.500 Zn 0.667 0.333 0.850 Zn 0.333 0.667 0.150 Zn 0.333 0.667 0.350 Zn 0.667 0.333 0.650 Ge 0.667 0.333 0.389 Ge 0.333 0.667 0.611 Ge 0.333 0.667 0.889 Ge 0.667 0.333 0.111 <coord>
<forme>-3.02<forme><bg>1.94<bg><abc>5.704 5.704 9.880<abc><angles>73.222 73.222 60.000<angles><comp>K4 Ta3 Nb1 O12<comp><coord>K 0.375 0.375 0.875 K 0.125 0.125 0.625 K 0.875 0.875 0.375 K 0.625 0.625 0.125 Ta 0.250 0.250 0.249 Ta 0.000 0.000 0.000 Ta 0.750 0.750 0.751 Nb 0.500 0.500 0.500 O 0.625 0.125 0.125 O 0.375 0.875 0.875 O 0.123 0.626 0.626 O 0.877 0.374 0.374 O 0.875 0.875 0.875 O 0.626 0.626 0.626 O 0.374 0.374 0.374 O 0.125 0.125 0.125 O 0.875 0.375 0.875 O 0.626 0.123 0.626 O 0.374 0.877 0.374 O 0.125 0.625 0.125 <coord>
<forme>-2.57<forme><bg>0.93<bg><abc>6.300 6.300 6.300<abc><angles>60.000 60.000 60.000<angles><comp>K1 Rb2 Cu1 F6<comp><coord>K 0.500 0.500 0.500 Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Cu 0.000 0.000 0.000 F 0.217 0.783 0.217 F 0.783 0.217 0.783 F 0.217 0.783 0.783 F 0.783 0.217 0.217 F 0.217 0.217 0.783 F 0.783 0.783 0.217 <coord>
<forme>-0.32<forme><bg>0.0<bg><abc>5.104 5.104 5.104<abc><angles>60.000 60.000 60.000<angles><comp>Nd1 Tm1 Zn2<comp><coord>Nd 0.500 0.500 0.500 Tm 0.000 0.000 0.000 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord>
<forme>-1.13<forme><bg>0.91<bg><abc>3.221 3.221 36.363<abc><angles>90.000 90.000 120.000<angles><comp>Mo3 W1 Se2 S6<comp><coord>Mo 0.000 0.000 0.906 Mo 0.667 0.333 0.718 Mo 0.667 0.333 0.342 W 0.000 0.000 0.530 Se 0.000 0.000 0.671 Se 0.000 0.000 0.765 S 0.000 0.000 0.300 S 0.667 0.333 0.949 S 0.667 0.333 0.573 S 0.667 0.333 0.863 S 0.667 0.333 0.487 S 0.000 0.000 0.385 <coord>
<forme>-0.43<forme><bg>0.41<bg><abc>4.555 4.555 5.839<abc><angles>106.390 111.855 99.270<angles><comp>P4 Pd2<comp><coord>P 0.976 0.938 0.666 P 0.772 0.310 0.834 P 0.228 0.690 0.166 P 0.024 0.062 0.334 Pd 0.500 0.500 0.500 Pd 0.500 0.000 0.000 <coord>
<forme>-0.91<forme><bg>0.0<bg><abc>7.770 7.770 7.770<abc><angles>72.063 72.063 72.063<angles><comp>Pr9 Pt6<comp><coord>Pr 0.000 0.000 0.000 Pr 0.202 0.202 0.202 Pr 0.798 0.798 0.798 Pr 0.392 0.666 0.166 Pr 0.666 0.166 0.392 Pr 0.166 0.392 0.666 Pr 0.608 0.334 0.834 Pr 0.334 0.834 0.608 Pr 0.834 0.608 0.334 Pt 0.041 0.841 0.410 Pt 0.841 0.410 0.041 Pt 0.410 0.041 0.841 Pt 0.959 0.159 0.590 Pt 0.159 0.590 0.959 Pt 0.590 0.959 0.159 <coord>
<forme>-2.32<forme><bg>0.84<bg><abc>6.031 6.031 6.051<abc><angles>90.777 119.244 119.752<angles><comp>Li3 Mn1 V4 O8<comp><coord>Li 0.500 0.000 0.000 Li 0.000 0.500 0.000 Li 0.500 0.000 0.500 Mn 0.500 0.500 0.000 V 0.000 0.500 0.500 V 0.000 0.000 0.000 V 0.500 0.500 0.500 V 0.000 0.000 0.500 O 0.472 0.249 0.721 O 0.007 0.756 0.269 O 0.513 0.262 0.269 O 0.528 0.751 0.279 O 0.996 0.742 0.738 O 0.993 0.244 0.731 O 0.487 0.738 0.731 O 0.004 0.258 0.262 <coord>
<forme>-0.78<forme><bg>0.0<bg><abc>7.684 8.725 7.684<abc><angles>63.876 90.000 116.124<angles><comp>Er10 Sb2 Pd4<comp><coord>Er 0.000 0.000 0.000 Er 0.500 0.000 0.500 Er 0.799 0.285 0.014 Er 0.201 0.715 0.986 Er 0.486 0.285 0.701 Er 0.299 0.285 0.201 Er 0.014 0.715 0.486 Er 0.514 0.715 0.299 Er 0.701 0.715 0.799 Er 0.986 0.285 0.514 Sb 0.250 0.500 0.750 Sb 0.750 0.500 0.250 Pd 0.137 0.000 0.637 Pd 0.863 0.000 0.363 Pd 0.637 0.000 0.863 Pd 0.363 0.000 0.137 <coord>
<forme>-2.01<forme><bg>0.0<bg><abc>5.225 5.257 5.314<abc><angles>60.373 81.358 72.395<angles><comp>Li3 Y1 Ni2 O6<comp><coord>Li 0.500 0.192 0.616 Li 0.500 0.500 0.000 Li 0.500 0.808 0.384 Y 1.000 1.000 0.000 Ni 0.000 0.334 0.332 Ni 0.000 0.666 0.668 O 0.763 0.706 1.000 O 0.232 0.563 0.363 O 0.232 0.925 0.638 O 0.768 0.437 0.637 O 0.768 0.075 0.362 O 0.237 0.293 0.000 <coord>
<forme>0.04<forme><bg>0.0<bg><abc>5.187 5.187 5.187<abc><angles>60.000 60.000 60.000<angles><comp>Hf1 Zr1 V4<comp><coord>Hf 0.750 0.750 0.750 Zr 0.000 0.000 0.000 V 0.375 0.875 0.375 V 0.375 0.375 0.375 V 0.375 0.375 0.875 V 0.875 0.375 0.375 <coord>
<forme>-0.3<forme><bg>0.0<bg><abc>2.756 2.756 8.037<abc><angles>90.000 90.000 90.000<angles><comp>Ti1 Al2 V1<comp><coord>Ti 0.000 0.000 0.000 Al 0.500 0.500 0.260 Al 0.500 0.500 0.740 V 0.000 0.000 0.500 <coord>
<forme>-0.67<forme><bg>0.04<bg><abc>4.157 4.157 6.793<abc><angles>90.000 90.000 120.000<angles><comp>Sm1 Zn1 Cu1 As2<comp><coord>Sm 0.667 0.333 0.016 Zn 0.000 0.000 0.626 Cu 0.333 0.667 0.359 As 0.333 0.667 0.743 As 0.000 0.000 0.257 <coord>
<forme>-0.55<forme><bg>0.82<bg><abc>4.038 4.573 11.446<abc><angles>90.000 90.000 90.000<angles><comp>Sn2 Ge2 Se4<comp><coord>Sn 0.500 0.353 0.386 Sn 0.500 0.647 0.886 Ge 0.000 0.127 0.626 Ge 0.000 0.873 0.126 Se 0.000 0.234 0.846 Se 0.000 0.765 0.346 Se 0.500 0.240 0.143 Se 0.500 0.760 0.643 <coord>
<forme>-2.28<forme><bg>0.0<bg><abc>3.155 4.631 4.633<abc><angles>88.923 90.000 90.000<angles><comp>Cr1 W1 O4<comp><coord>Cr 1.000 0.500 0.500 W 0.500 0.000 1.000 O 0.000 0.805 0.805 O 1.000 0.195 0.195 O 0.500 0.699 0.301 O 0.500 0.301 0.699 <coord>
<forme>-1.8<forme><bg>1.88<bg><abc>8.567 9.465 8.567<abc><angles>116.906 90.000 116.906<angles><comp>Ba6 Sn2 S10<comp><coord>Ba 0.750 0.500 0.750 Ba 0.250 0.500 0.250 Ba 0.164 0.000 0.664 Ba 0.836 0.000 0.336 Ba 0.664 0.000 0.836 Ba 0.336 0.000 0.164 Sn 0.750 0.500 0.250 Sn 0.250 0.500 0.750 S 0.500 0.000 0.500 S 0.000 0.000 0.000 S 0.494 0.293 0.994 S 0.799 0.293 0.299 S 0.994 0.293 0.799 S 0.299 0.293 0.494 S 0.506 0.707 0.006 S 0.201 0.707 0.701 S 0.006 0.707 0.201 S 0.701 0.707 0.506 <coord>
<forme>0.06<forme><bg>0.0<bg><abc>5.076 5.076 6.159<abc><angles>114.334 114.334 90.000<angles><comp>Tb3 Th1<comp><coord>Tb 0.750 0.250 0.500 Tb 0.250 0.750 0.500 Tb 0.500 0.500 0.000 Th 0.000 0.000 0.000 <coord>
<forme>-0.36<forme><bg>0.0<bg><abc>4.188 5.162 5.162<abc><angles>118.158 90.000 90.000<angles><comp>Ce1 Al2 Cu3<comp><coord>Ce 0.000 0.500 0.500 Al 0.500 0.500 0.000 Al 0.500 0.000 0.500 Cu 1.000 0.836 0.164 Cu 0.000 0.164 0.836 Cu 0.500 0.000 0.000 <coord>
<forme>-1.81<forme><bg>2.17<bg><abc>4.546 6.750 9.950<abc><angles>90.000 90.000 90.000<angles><comp>Rb4 F12<comp><coord>Rb 0.423 0.529 0.633 Rb 0.077 0.471 0.133 Rb 0.577 0.029 0.867 Rb 0.923 0.971 0.367 F 0.446 0.697 0.321 F 0.054 0.303 0.821 F 0.554 0.197 0.179 F 0.946 0.803 0.679 F 0.499 0.115 0.561 F 0.001 0.885 0.061 F 0.501 0.615 0.939 F 0.999 0.385 0.439 F 0.725 0.539 0.379 F 0.775 0.461 0.879 F 0.275 0.039 0.121 F 0.225 0.961 0.621 <coord>
<forme>-0.13<forme><bg>0.0<bg><abc>4.673 6.344 6.344<abc><angles>81.904 68.390 68.390<angles><comp>Y1 Ti1 Co11<comp><coord>Y 0.000 0.993 0.007 Ti 0.000 0.368 0.632 Co 0.500 0.773 0.227 Co 0.500 0.221 0.779 Co 0.722 0.780 0.777 Co 0.278 0.223 0.220 Co 0.001 0.995 0.498 Co 0.506 0.995 0.498 Co 0.494 0.502 0.005 Co 0.999 0.502 0.005 Co 0.000 0.646 0.354 Co 0.641 0.360 0.357 Co 0.359 0.643 0.640 <coord>
<forme>-2.46<forme><bg>1.6<bg><abc>4.850 5.524 5.524<abc><angles>105.842 97.758 97.758<angles><comp>Mn2 V1 P1 O7<comp><coord>Mn 0.280 0.315 0.934 Mn 0.280 0.934 0.315 V 0.685 0.852 0.852 P 0.875 0.395 0.395 O 0.605 0.216 0.216 O 0.028 0.001 0.001 O 0.754 0.595 0.595 O 0.491 0.695 0.024 O 0.491 0.024 0.695 O 0.055 0.539 0.249 O 0.055 0.249 0.539 <coord>
<forme>-0.16<forme><bg>0.0<bg><abc>4.964 4.964 12.748<abc><angles>78.773 78.773 60.000<angles><comp>Th4 Co14<comp><coord>Th 0.051 0.051 0.848 Th 0.949 0.949 0.152 Th 0.146 0.146 0.561 Th 0.854 0.854 0.439 Co 0.500 0.500 0.500 Co 0.278 0.278 0.165 Co 0.722 0.722 0.835 Co 0.388 0.388 0.836 Co 0.612 0.612 0.164 Co 0.500 0.000 1.000 Co 0.000 0.500 0.000 Co 0.500 0.500 1.000 Co 0.607 0.607 0.675 Co 0.607 0.110 0.675 Co 0.110 0.607 0.675 Co 0.393 0.393 0.325 Co 0.393 0.890 0.325 Co 0.890 0.393 0.325 <coord>
<forme>-2.0<forme><bg>0.0<bg><abc>5.259 5.526 6.214<abc><angles>73.526 81.791 66.661<angles><comp>Nb2 Cu3 O8<comp><coord>Nb 0.782 0.458 0.346 Nb 0.218 0.542 0.654 Cu 0.000 1.000 0.000 Cu 0.536 0.933 0.754 Cu 0.464 0.067 0.246 O 0.761 0.800 0.107 O 0.239 0.200 0.893 O 0.737 0.254 0.167 O 0.263 0.746 0.833 O 0.631 0.263 0.624 O 0.369 0.737 0.376 O 0.830 0.686 0.601 O 0.170 0.314 0.399 <coord>
<forme>-2.85<forme><bg>0.0<bg><abc>5.925 5.925 5.925<abc><angles>60.000 60.000 60.000<angles><comp>Ba1 Sr1 Ce1 Fe1 O6<comp><coord>Ba 0.250 0.250 0.250 Sr 0.750 0.750 0.750 Ce 0.000 0.000 0.000 Fe 0.500 0.500 0.500 O 0.263 0.737 0.263 O 0.737 0.263 0.737 O 0.737 0.263 0.263 O 0.263 0.737 0.737 O 0.737 0.737 0.263 O 0.263 0.263 0.737 <coord>
<forme>-3.31<forme><bg>3.41<bg><abc>3.608 5.251 5.251<abc><angles>73.952 69.905 69.905<angles><comp>Al1 Fe1 F5<comp><coord>Al 0.500 0.500 0.500 Fe 0.000 0.000 0.000 F 0.500 0.792 0.208 F 0.500 0.208 0.792 F 0.261 0.739 0.739 F 0.739 0.261 0.261 F 0.000 0.500 0.500 <coord>
<forme>-2.81<forme><bg>1.13<bg><abc>5.166 5.219 7.738<abc><angles>104.240 102.120 76.599<angles><comp>Li2 Ti2 V3 O10<comp><coord>Li 0.448 0.211 0.394 Li 0.553 0.783 0.609 Ti 0.993 0.126 0.687 Ti 0.011 0.869 0.317 V 0.497 0.998 0.995 V 0.040 0.693 0.895 V 0.955 0.313 0.108 O 0.784 0.061 0.863 O 0.228 0.052 0.507 O 0.209 0.314 0.946 O 0.724 0.206 0.213 O 0.846 0.479 0.685 O 0.162 0.510 0.312 O 0.286 0.806 0.780 O 0.786 0.681 0.067 O 0.772 0.944 0.487 O 0.206 0.953 0.136 <coord>
<forme>-0.31<forme><bg>0.0<bg><abc>4.885 4.885 4.885<abc><angles>60.000 60.000 60.000<angles><comp>Zr2 Co4<comp><coord>Zr 0.250 0.250 0.250 Zr 0.500 0.500 0.500 Co 0.875 0.875 0.875 Co 0.875 0.375 0.875 Co 0.875 0.875 0.375 Co 0.375 0.875 0.875 <coord>
<forme>-2.18<forme><bg>0.0<bg><abc>7.399 7.399 7.399<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Li1 Yb1 Cl6<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Li 0.500 0.500 0.500 Yb 0.000 0.000 0.000 Cl 0.256 0.744 0.256 Cl 0.744 0.256 0.744 Cl 0.256 0.744 0.744 Cl 0.744 0.256 0.256 Cl 0.256 0.256 0.744 Cl 0.744 0.744 0.256 <coord>
<forme>-0.63<forme><bg>0.0<bg><abc>4.574 4.617 9.905<abc><angles>76.522 90.000 90.000<angles><comp>Li2 La2 Sn4<comp><coord>Li 0.750 0.677 0.646 Li 0.250 0.323 0.354 La 0.750 0.895 0.211 La 0.250 0.105 0.789 Sn 0.750 0.544 0.912 Sn 0.250 0.456 0.088 Sn 0.750 0.249 0.503 Sn 0.250 0.751 0.497 <coord>
<forme>-0.58<forme><bg>0.0<bg><abc>3.347 3.347 11.192<abc><angles>90.000 90.000 120.000<angles><comp>Ni2 Mo2 P4<comp><coord>Ni 0.000 0.000 0.000 Ni 0.000 0.000 0.500 Mo 0.000 0.000 0.250 Mo 0.000 0.000 0.750 P 0.667 0.333 0.612 P 0.333 0.667 0.112 P 0.667 0.333 0.888 P 0.333 0.667 0.388 <coord>
<forme>-0.1<forme><bg>0.0<bg><abc>6.128 6.128 6.128<abc><angles>60.000 60.000 60.000<angles><comp>La1 Y1 Mg4<comp><coord>La 0.750 0.750 0.750 Y 0.000 0.000 0.000 Mg 0.375 0.875 0.375 Mg 0.375 0.375 0.375 Mg 0.375 0.375 0.875 Mg 0.875 0.375 0.375 <coord>
<forme>-0.49<forme><bg>0.0<bg><abc>4.974 4.974 6.958<abc><angles>90.000 90.000 120.000<angles><comp>Tb2 Ni8 B2<comp><coord>Tb 0.000 0.000 0.500 Tb 0.000 0.000 0.000 Ni 0.667 0.333 0.000 Ni 0.333 0.667 1.000 Ni 0.500 0.500 0.708 Ni 0.500 0.000 0.708 Ni 1.000 0.500 0.708 Ni 0.500 0.500 0.292 Ni 0.500 0.000 0.292 Ni 1.000 0.500 0.292 B 0.333 0.667 0.500 B 0.667 0.333 0.500 <coord>
<forme>-1.99<forme><bg>0.4<bg><abc>3.083 6.638 10.530<abc><angles>108.281 90.000 90.000<angles><comp>Ni6 O2 F10<comp><coord>Ni 0.000 0.993 0.997 Ni 0.500 0.511 0.003 Ni 0.500 0.166 0.331 Ni 0.000 0.333 0.667 Ni 0.000 0.670 0.342 Ni 0.500 0.831 0.663 O 0.000 0.698 0.001 O 0.500 0.731 0.464 F 0.500 0.067 0.130 F 0.000 0.634 0.667 F 0.000 0.302 0.001 F 0.000 0.970 0.333 F 0.500 0.604 0.206 F 0.500 0.267 0.534 F 0.500 0.398 0.798 F 0.000 0.030 0.665 F 0.000 0.362 0.334 F 0.500 0.933 0.864 <coord>
<forme>-1.5<forme><bg>2.33<bg><abc>5.858 6.870 6.870<abc><angles>84.393 74.734 74.734<angles><comp>Cr4 O12<comp><coord>Cr 0.230 0.383 0.204 Cr 0.730 0.204 0.383 Cr 0.270 0.796 0.617 Cr 0.770 0.617 0.796 O 0.333 0.224 0.030 O 0.187 0.604 0.103 O 0.833 0.030 0.224 O 0.445 0.357 0.351 O 0.313 0.897 0.396 O 0.945 0.351 0.357 O 0.055 0.649 0.643 O 0.687 0.103 0.604 O 0.555 0.643 0.649 O 0.167 0.970 0.776 O 0.813 0.396 0.897 O 0.667 0.776 0.970 <coord>
<forme>-2.7<forme><bg>0.0<bg><abc>3.747 3.747 5.560<abc><angles>109.690 109.690 90.000<angles><comp>Ti1 Cr1 O4<comp><coord>Ti 0.750 0.250 0.500 Cr 0.000 0.000 0.000 O 0.961 0.461 0.921 O 0.798 0.798 0.595 O 0.539 0.039 0.079 O 0.202 0.202 0.405 <coord>
<forme>-0.66<forme><bg>0.0<bg><abc>3.922 5.862 8.203<abc><angles>90.000 90.000 90.000<angles><comp>Ce2 Nd2 Si4<comp><coord>Ce 0.000 0.136 0.680 Ce 0.000 0.864 0.180 Nd 0.500 0.363 0.320 Nd 0.500 0.637 0.820 Si 0.000 0.628 0.535 Si 0.000 0.372 0.035 Si 0.500 0.874 0.465 Si 0.500 0.126 0.965 <coord>
<forme>-0.84<forme><bg>0.0<bg><abc>3.356 6.186 6.819<abc><angles>115.549 104.245 90.000<angles><comp>V2 Fe1 Se4<comp><coord>V 0.255 0.315 0.510 V 0.745 0.685 0.490 Fe 0.000 0.000 0.000 Se 0.105 0.443 0.210 Se 0.895 0.557 0.790 Se 0.360 0.025 0.721 Se 0.640 0.975 0.279 <coord>
<forme>-2.95<forme><bg>0.0<bg><abc>7.545 7.545 7.545<abc><angles>89.455 60.207 119.578<angles><comp>K2 Ta4 O12<comp><coord>K 0.000 0.000 0.000 K 0.500 0.500 0.000 Ta 1.000 0.500 0.500 Ta 0.500 0.000 0.500 Ta 1.000 0.500 0.000 Ta 0.500 0.500 0.500 O 0.250 0.438 0.812 O 0.250 0.809 0.441 O 0.620 0.810 0.437 O 0.880 0.443 0.810 O 0.253 0.443 0.437 O 0.247 0.810 0.810 O 0.750 0.562 0.188 O 0.750 0.191 0.559 O 0.380 0.190 0.563 O 0.120 0.557 0.190 O 0.747 0.557 0.563 O 0.753 0.190 0.190 <coord>
<forme>-0.38<forme><bg>0.0<bg><abc>6.125 9.113 9.113<abc><angles>83.515 70.362 70.362<angles><comp>Ho10 In6<comp><coord>Ho 0.581 0.138 0.700 Ho 0.419 0.862 0.300 Ho 0.081 0.700 0.138 Ho 0.919 0.300 0.862 Ho 0.281 0.300 0.138 Ho 0.719 0.700 0.862 Ho 0.219 0.862 0.700 Ho 0.781 0.138 0.300 Ho 0.750 0.500 0.500 Ho 0.250 0.500 0.500 In 0.663 0.500 0.175 In 0.337 0.500 0.825 In 0.163 0.175 0.500 In 0.837 0.825 0.500 In 0.750 0.000 0.000 In 0.250 0.000 0.000 <coord>
<forme>-1.92<forme><bg>0.0<bg><abc>4.050 5.135 7.716<abc><angles>75.443 74.782 66.772<angles><comp>Li4 Cr2 Ni2 O8<comp><coord>Li 0.248 0.377 0.126 Li 0.250 0.876 0.625 Li 0.496 0.758 0.251 Li 0.507 0.238 0.748 Cr 0.754 0.120 0.373 Cr 0.748 0.629 0.874 Ni 0.996 0.006 0.001 Ni 0.004 0.492 0.500 O 0.981 0.264 0.773 O 0.986 0.785 0.243 O 0.514 0.980 0.993 O 0.519 0.471 0.492 O 0.771 0.344 0.114 O 0.768 0.847 0.617 O 0.236 0.146 0.382 O 0.222 0.668 0.888 <coord>
<forme>-1.03<forme><bg>0.0<bg><abc>8.561 8.561 8.561<abc><angles>109.471 109.471 109.471<angles><comp>Cs8 O12<comp><coord>Cs 0.602 1.000 1.000 Cs 1.000 0.500 0.102 Cs 0.500 0.602 0.500 Cs 0.102 0.000 0.000 Cs 0.898 0.898 0.398 Cs 1.000 0.500 0.602 Cs 0.398 0.398 0.898 Cs 0.500 0.102 0.500 O 0.750 0.696 0.946 O 0.250 0.804 0.554 O 0.804 0.054 0.750 O 0.554 0.304 0.250 O 0.696 0.446 0.250 O 0.946 0.196 0.750 O 0.054 0.250 0.304 O 0.250 0.946 0.696 O 0.446 0.750 0.196 O 0.750 0.554 0.804 O 0.304 0.750 0.054 O 0.196 0.250 0.446 <coord>
<forme>-1.34<forme><bg>0.0<bg><abc>4.475 4.475 16.126<abc><angles>90.000 90.000 90.000<angles><comp>Yb4 Sc4 Sb4 O1<comp><coord>Yb 0.500 0.500 0.332 Yb 0.000 0.000 0.834 Yb 0.000 0.000 0.166 Yb 0.500 0.500 0.668 Sc 0.500 0.000 0.000 Sc 0.000 0.500 0.500 Sc 0.000 0.500 0.000 Sc 0.500 0.000 0.500 Sb 0.500 0.500 0.131 Sb 0.000 0.000 0.631 Sb 0.000 0.000 0.369 Sb 0.500 0.500 0.869 O 0.000 0.000 0.000 <coord>
<forme>-0.83<forme><bg>0.0<bg><abc>4.105 4.334 4.334<abc><angles>120.001 90.000 90.000<angles><comp>Ce1 Ni1 Sb1<comp><coord>Ce 0.000 1.000 0.000 Ni 0.500 0.667 0.333 Sb 0.500 0.333 0.667 <coord>
<forme>-0.46<forme><bg>0.0<bg><abc>4.492 4.492 7.474<abc><angles>90.000 90.000 120.000<angles><comp>Ce2 Zn2 Ga2<comp><coord>Ce 0.000 0.000 0.500 Ce 0.000 0.000 0.000 Zn 0.667 0.333 0.250 Zn 0.333 0.667 0.750 Ga 0.667 0.333 0.750 Ga 0.333 0.667 0.250 <coord>
<forme>-2.64<forme><bg>0.0<bg><abc>3.936 3.936 7.584<abc><angles>90.000 90.000 90.000<angles><comp>Eu2 Ga2 O5<comp><coord>Eu 0.000 0.000 0.000 Eu 0.000 0.000 0.500 Ga 0.500 0.500 0.250 Ga 0.500 0.500 0.750 O 0.500 0.000 0.214 O 0.500 0.000 0.786 O 0.500 0.500 0.500 O 0.000 0.500 0.214 O 0.000 0.500 0.786 <coord>
<forme>-0.7<forme><bg>0.0<bg><abc>4.097 5.654 5.802<abc><angles>90.000 90.000 111.245<angles><comp>Gd2 Al2 Ge2<comp><coord>Gd 0.312 0.624 0.750 Gd 0.688 0.376 0.250 Al 0.000 0.000 0.500 Al 0.000 0.000 0.000 Ge 0.605 0.210 0.750 Ge 0.395 0.790 0.250 <coord>
<forme>0.04<forme><bg>0.0<bg><abc>6.191 6.191 6.191<abc><angles>90.000 90.000 90.000<angles><comp>Ba3 Yb1<comp><coord>Ba 0.000 0.500 0.500 Ba 0.500 0.000 0.500 Ba 0.500 0.500 0.000 Yb 0.000 0.000 0.000 <coord>
<forme>-1.1<forme><bg>0.0<bg><abc>3.327 3.327 11.019<abc><angles>81.317 81.317 60.000<angles><comp>Zr4 C3 N1<comp><coord>Zr 0.875 0.875 0.376 Zr 0.125 0.125 0.624 Zr 0.376 0.376 0.872 Zr 0.624 0.624 0.128 C 0.252 0.252 0.245 C 0.500 0.500 0.500 C 0.748 0.748 0.755 N 0.000 0.000 0.000 <coord>
<forme>-0.35<forme><bg>3.55<bg><abc>4.039 4.039 7.415<abc><angles>105.806 105.806 90.000<angles><comp>K2 Mg1 H4<comp><coord>K 0.644 0.644 0.287 K 0.356 0.356 0.713 Mg 0.000 0.000 0.000 H 0.000 0.500 0.000 H 0.500 0.000 0.000 H 0.853 0.853 0.706 H 0.147 0.147 0.294 <coord>
<forme>-2.83<forme><bg>1.78<bg><abc>3.154 3.873 6.274<abc><angles>90.000 89.990 89.778<angles><comp>F2 O2 V2<comp><coord>F 0.750 0.750 0.353 F 0.250 0.250 0.647 O 0.750 0.750 0.932 O 0.250 0.250 0.068 V 0.250 0.750 0.152 V 0.750 0.250 0.848 <coord>
<forme>-0.41<forme><bg>0.0<bg><abc>3.829 4.769 8.280<abc><angles>89.993 90.000 90.000<angles><comp>Nd2 In3 Ni1<comp><coord>Nd 0.000 1.000 0.028 Nd 0.000 0.500 0.485 In 0.500 0.500 0.836 In 0.500 0.500 0.182 In 0.500 1.000 0.644 Ni 0.500 1.000 0.325 <coord>

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.