text
stringlengths
140
560
<forme>-2.24<forme><bg>0.0<bg><abc>3.894 3.894 11.571<abc><angles>89.889 89.889 89.873<angles><comp>Sr2 Gd1 Cu2 Ru1 O8<comp><coord>Sr 0.499 0.500 0.689 Sr 0.500 0.501 0.311 Gd 0.500 0.500 1.000 Cu 1.000 1.000 0.857 Cu 0.000 0.000 0.143 Ru 0.018 0.982 0.500 O 0.001 0.500 0.872 O 0.499 0.000 0.873 O 1.000 0.501 0.127 O 0.500 0.999 0.128 O 0.995 0.998 0.669 O 0.002 0.005 0.331 O 0.043 0.482 0.501 O 0.518 0.957 0.499 <coord>
<forme>-2.45<forme><bg>2.31<bg><abc>4.330 4.330 9.928<abc><angles>77.404 77.404 60.000<angles><comp>Ba2 Cu1 Cl1 O2<comp><coord>Ba 0.745 0.745 0.765 Ba 0.255 0.255 0.235 Cu 0.500 0.500 0.500 Cl 0.000 0.000 0.000 O 0.563 0.563 0.311 O 0.437 0.437 0.689 <coord>
<forme>-1.61<forme><bg>1.45<bg><abc>4.356 4.356 8.158<abc><angles>74.513 74.513 60.000<angles><comp>Pr1 Tl1 Se2<comp><coord>Pr 0.000 0.000 0.000 Tl 0.500 0.500 0.500 Se 0.737 0.737 0.789 Se 0.263 0.263 0.211 <coord>
<forme>-1.48<forme><bg>0.0<bg><abc>5.734 5.736 5.736<abc><angles>89.928 90.074 89.926<angles><comp>Rb1 In1 Br3<comp><coord>Rb 0.999 0.001 0.999 In 0.483 0.504 0.496 Br 0.485 0.001 0.496 Br 0.985 0.494 0.506 Br 0.485 0.504 0.999 <coord>
<forme>-2.77<forme><bg>1.35<bg><abc>5.439 5.449 7.015<abc><angles>112.850 90.003 89.984<angles><comp>Sr2 La2 Co2 O8<comp><coord>Sr 0.500 0.144 0.289 Sr 0.000 0.356 0.711 La 0.999 0.642 0.282 La 0.499 0.859 0.719 Co 1.000 0.007 0.013 Co 0.500 0.493 0.986 O 0.002 0.821 0.641 O 0.503 0.680 0.359 O 0.499 0.337 0.671 O 0.999 0.162 0.329 O 0.757 0.236 0.993 O 0.243 0.757 0.994 O 0.257 0.264 0.007 O 0.743 0.743 0.005 <coord>
<forme>-3.02<forme><bg>0.93<bg><abc>6.073 6.073 6.073<abc><angles>91.009 119.419 119.419<angles><comp>Ba2 Sm1 Mo1 O6<comp><coord>Ba 0.500 0.750 0.250 Ba 0.500 0.250 0.750 Sm 0.000 0.000 0.000 Mo 0.000 0.500 0.500 O 0.000 0.729 0.729 O 0.000 0.271 0.271 O 0.035 0.753 0.282 O 0.965 0.247 0.718 O 0.470 0.718 0.753 O 0.530 0.282 0.247 <coord>
<forme>-0.07<forme><bg>0.0<bg><abc>3.025 5.793 7.697<abc><angles>109.063 90.000 105.136<angles><comp>Mg4 Ga2<comp><coord>Mg 0.174 0.348 0.124 Mg 0.864 0.728 0.475 Mg 0.136 0.272 0.525 Mg 0.826 0.652 0.876 Ga 0.461 0.921 0.209 Ga 0.539 0.079 0.791 <coord>
<forme>-2.34<forme><bg>0.0<bg><abc>6.061 6.061 6.061<abc><angles>60.000 60.000 60.000<angles><comp>Rb2 Ni1 Ag1 F6<comp><coord>Rb 0.750 0.750 0.750 Rb 0.250 0.250 0.250 Ni 0.000 0.000 0.000 Ag 0.500 0.500 0.500 F 0.227 0.773 0.773 F 0.773 0.773 0.227 F 0.773 0.227 0.227 F 0.227 0.773 0.227 F 0.773 0.227 0.773 F 0.227 0.227 0.773 <coord>
<forme>-2.02<forme><bg>0.0<bg><abc>7.989 8.809 7.989<abc><angles>116.966 90.000 116.966<angles><comp>Ba2 La4 Co2 S10<comp><coord>Ba 0.750 0.500 0.750 Ba 0.250 0.500 0.250 La 0.664 1.000 0.164 La 0.836 0.000 0.664 La 0.164 1.000 0.336 La 0.336 0.000 0.836 Co 0.250 0.500 0.750 Co 0.750 0.500 0.250 S 0.508 0.725 0.716 S 0.784 0.275 0.992 S 0.492 0.275 0.284 S 0.992 0.275 0.492 S 0.284 0.275 0.784 S 0.008 0.725 0.508 S 0.716 0.725 0.216 S 0.216 0.725 0.008 S 0.500 0.000 0.500 S 0.000 0.000 0.000 <coord>
<forme>-0.02<forme><bg>0.0<bg><abc>4.955 4.955 4.955<abc><angles>109.471 109.471 109.471<angles><comp>Fe7 Co1<comp><coord>Fe 0.500 0.000 0.500 Fe 0.000 0.500 0.500 Fe 0.500 0.500 0.000 Fe 0.500 0.500 0.500 Fe 0.000 0.500 0.000 Fe 0.000 0.000 0.500 Fe 0.500 0.000 0.000 Co 0.000 0.000 0.000 <coord>
<forme>-1.81<forme><bg>3.14<bg><abc>5.848 7.913 16.358<abc><angles>90.000 92.766 90.000<angles><comp>Cs4 Sn4 Cl12<comp><coord>Cs 0.749 0.993 0.348 Cs 0.751 0.493 0.152 Cs 0.251 0.007 0.652 Cs 0.249 0.507 0.848 Sn 0.244 0.043 0.113 Sn 0.256 0.543 0.387 Sn 0.756 0.957 0.887 Sn 0.744 0.457 0.613 Cl 0.691 0.033 0.125 Cl 0.809 0.533 0.375 Cl 0.309 0.967 0.875 Cl 0.191 0.467 0.625 Cl 0.235 0.333 0.045 Cl 0.265 0.833 0.455 Cl 0.765 0.667 0.955 Cl 0.735 0.167 0.545 Cl 0.732 0.311 0.753 Cl 0.768 0.811 0.747 Cl 0.268 0.689 0.247 Cl 0.232 0.189 0.253 <coord>
<forme>-1.48<forme><bg>1.96<bg><abc>5.077 5.122 5.087<abc><angles>97.994 96.049 99.969<angles><comp>Ba1 H3 I1 O6<comp><coord>Ba 0.998 0.996 0.997 H 0.350 0.618 0.057 H 0.601 0.065 0.354 H 0.938 0.388 0.646 I 0.492 0.512 0.512 O 0.241 0.561 0.205 O 0.580 0.216 0.250 O 0.211 0.252 0.572 O 0.744 0.776 0.416 O 0.429 0.752 0.797 O 0.787 0.424 0.755 <coord>
<forme>-0.46<forme><bg>0.0<bg><abc>5.614 5.614 5.614<abc><angles>60.000 60.000 60.000<angles><comp>Ca1 Eu1 In2<comp><coord>Ca 0.500 0.500 0.500 Eu 0.000 0.000 0.000 In 0.750 0.750 0.750 In 0.250 0.250 0.250 <coord>
<forme>-0.65<forme><bg>1.06<bg><abc>6.379 6.379 7.804<abc><angles>114.122 114.122 90.000<angles><comp>Li1 In2 Cu1 Te4<comp><coord>Li 0.000 0.000 0.000 In 0.750 0.250 0.500 In 0.500 0.500 0.000 Cu 0.250 0.750 0.500 Te 0.130 0.644 0.742 Te 0.612 0.098 0.742 Te 0.356 0.388 0.258 Te 0.902 0.870 0.258 <coord>
<forme>-2.83<forme><bg>1.0<bg><abc>4.008 4.008 7.091<abc><angles>106.417 106.417 90.000<angles><comp>Ba1 La1 Fe1 O4<comp><coord>Ba 0.645 0.645 0.290 La 0.362 0.362 0.723 Fe 0.999 0.999 0.998 O 0.841 0.841 0.681 O 0.176 0.176 0.351 O 0.489 0.989 0.978 O 0.989 0.489 0.978 <coord>
<forme>-0.36<forme><bg>0.0<bg><abc>4.857 4.857 4.857<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Pa1 Ru2<comp><coord>Gd 0.750 0.750 0.750 Pa 0.250 0.250 0.250 Ru 0.500 0.500 0.500 Ru 0.000 0.000 0.000 <coord>
<forme>-0.25<forme><bg>0.0<bg><abc>5.063 5.063 5.063<abc><angles>60.000 60.000 60.000<angles><comp>Sm1 Tl1 Ag2<comp><coord>Sm 0.000 0.000 0.000 Tl 0.500 0.500 0.500 Ag 0.750 0.750 0.750 Ag 0.250 0.250 0.250 <coord>
<forme>-0.24<forme><bg>0.0<bg><abc>4.386 5.521 5.521<abc><angles>120.000 90.000 90.000<angles><comp>Mo2 Rh6<comp><coord>Mo 0.750 0.667 0.333 Mo 0.250 0.333 0.667 Rh 0.750 0.167 0.833 Rh 0.250 0.833 0.666 Rh 0.250 0.334 0.167 Rh 0.750 0.666 0.833 Rh 0.750 0.167 0.334 Rh 0.250 0.833 0.167 <coord>
<forme>-2.16<forme><bg>0.56<bg><abc>3.096 4.735 13.915<abc><angles>89.593 90.000 90.000<angles><comp>Ni6 O1 F11<comp><coord>Ni 0.000 0.988 0.005 Ni 0.500 0.513 0.164 Ni 0.000 0.004 0.333 Ni 0.500 0.501 0.500 Ni 0.000 0.999 0.667 Ni 0.500 0.496 0.834 O 0.500 0.812 0.069 F 0.000 0.317 0.097 F 0.000 0.683 0.238 F 0.500 0.188 0.261 F 0.500 0.820 0.403 F 0.000 0.318 0.430 F 0.000 0.683 0.570 F 0.500 0.182 0.596 F 0.500 0.816 0.737 F 0.000 0.317 0.763 F 0.000 0.682 0.903 F 0.500 0.180 0.932 <coord>
<forme>-0.49<forme><bg>0.24<bg><abc>4.200 4.200 7.061<abc><angles>72.696 72.696 60.000<angles><comp>Ag1 Bi1 Se2<comp><coord>Ag 0.000 0.000 0.000 Bi 0.500 0.500 0.500 Se 0.254 0.254 0.238 Se 0.746 0.746 0.762 <coord>
<forme>-1.62<forme><bg>0.43<bg><abc>5.459 5.712 7.896<abc><angles>92.186 90.804 91.271<angles><comp>La1 Ni4 Bi3 O12<comp><coord>La 0.982 0.943 0.755 Ni 0.999 0.499 0.497 Ni 0.996 0.499 0.001 Ni 0.499 0.001 0.001 Ni 0.503 0.003 0.497 Bi 0.008 0.060 0.225 Bi 0.483 0.564 0.273 Bi 0.510 0.440 0.718 O 0.141 0.535 0.748 O 0.853 0.466 0.253 O 0.789 0.227 0.580 O 0.214 0.777 0.421 O 0.607 0.925 0.243 O 0.408 0.076 0.756 O 0.330 0.317 0.456 O 0.683 0.696 0.552 O 0.176 0.820 0.041 O 0.831 0.166 0.977 O 0.681 0.660 0.915 O 0.309 0.327 0.089 <coord>
<forme>-0.37<forme><bg>0.0<bg><abc>4.622 7.185 10.013<abc><angles>90.000 103.345 90.000<angles><comp>Sr4 Li2 Mg2 Si6<comp><coord>Sr 0.444 0.752 0.888 Sr 0.556 0.252 0.112 Sr 0.654 0.739 0.308 Sr 0.346 0.239 0.692 Li 0.810 0.949 0.619 Li 0.190 0.449 0.381 Mg 0.191 0.056 0.382 Mg 0.809 0.556 0.618 Si 0.278 0.751 0.557 Si 0.722 0.251 0.443 Si 0.947 0.418 0.894 Si 0.053 0.585 0.105 Si 0.947 0.085 0.895 Si 0.053 0.918 0.106 <coord>
<forme>-0.47<forme><bg>0.0<bg><abc>6.137 6.137 10.887<abc><angles>90.000 90.000 120.000<angles><comp>Ba5 Ga5 Pb1<comp><coord>Ba 0.333 0.667 0.168 Ba 0.667 0.333 0.294 Ba 0.667 0.333 0.706 Ba 0.333 0.667 0.832 Ba 0.000 0.000 0.500 Ga 0.000 0.000 0.827 Ga 0.817 0.634 0.000 Ga 0.817 0.183 0.000 Ga 0.000 0.000 0.173 Ga 0.366 0.183 0.000 Pb 0.333 0.667 0.500 <coord>
<forme>-3.1<forme><bg>6.98<bg><abc>2.704 2.704 2.704<abc><angles>60.000 60.000 60.000<angles><comp>Be1 O1<comp><coord>Be 0.000 0.000 0.000 O 0.250 0.250 0.250 <coord>
<forme>-0.45<forme><bg>0.0<bg><abc>5.044 5.044 5.044<abc><angles>60.000 60.000 60.000<angles><comp>Li1 Tb1 Hg2<comp><coord>Li 0.500 0.500 0.500 Tb 0.000 0.000 0.000 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord>
<forme>-2.13<forme><bg>2.82<bg><abc>4.001 11.501 11.501<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 Cl12 O4<comp><coord>Nb 0.696 0.623 0.877 Nb 0.304 0.123 0.623 Nb 0.696 0.377 0.123 Nb 0.304 0.877 0.377 Cl 0.238 0.098 0.402 Cl 0.755 0.821 0.900 Cl 0.755 0.179 0.100 Cl 0.762 0.402 0.902 Cl 0.238 0.902 0.598 Cl 0.755 0.600 0.679 Cl 0.755 0.400 0.321 Cl 0.245 0.900 0.179 Cl 0.762 0.598 0.098 Cl 0.245 0.679 0.400 Cl 0.245 0.321 0.600 Cl 0.245 0.100 0.821 O 0.752 0.115 0.615 O 0.248 0.615 0.885 O 0.248 0.385 0.115 O 0.752 0.885 0.385 <coord>
<forme>-0.68<forme><bg>0.0<bg><abc>4.561 7.596 8.713<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Cd4 Pt4<comp><coord>Sr 0.250 0.030 0.320 Sr 0.250 0.530 0.180 Sr 0.750 0.970 0.680 Sr 0.750 0.470 0.820 Cd 0.250 0.145 0.934 Cd 0.250 0.645 0.566 Cd 0.750 0.855 0.066 Cd 0.750 0.355 0.434 Pt 0.250 0.270 0.623 Pt 0.250 0.770 0.877 Pt 0.750 0.730 0.377 Pt 0.750 0.230 0.123 <coord>
<forme>-0.01<forme><bg>0.0<bg><abc>6.761 7.127 7.127<abc><angles>76.997 61.683 61.683<angles><comp>Sr4 Mg2<comp><coord>Sr 0.335 0.500 0.831 Sr 0.665 0.500 0.169 Sr 0.835 0.831 0.500 Sr 0.165 0.169 0.500 Mg 0.250 0.000 1.000 Mg 0.750 0.000 1.000 <coord>
<forme>-0.67<forme><bg>0.0<bg><abc>3.856 3.856 7.331<abc><angles>74.751 74.751 60.000<angles><comp>Sr2 N1<comp><coord>Sr 0.268 0.268 0.197 Sr 0.732 0.732 0.803 N 0.000 0.000 0.000 <coord>
<forme>-0.24<forme><bg>0.0<bg><abc>5.013 5.013 8.388<abc><angles>90.000 90.000 119.126<angles><comp>Zr4 V4 Ni4<comp><coord>Zr 0.326 0.674 0.681 Zr 0.662 0.338 0.806 Zr 0.662 0.338 0.194 Zr 0.326 0.674 0.319 V 0.845 0.155 0.500 V 0.167 0.341 0.000 V 0.659 0.833 0.000 V 0.174 0.826 0.000 Ni 0.997 0.003 0.745 Ni 0.997 0.003 0.255 Ni 0.839 0.654 0.500 Ni 0.346 0.161 0.500 <coord>
<forme>-0.4<forme><bg>0.0<bg><abc>4.115 5.337 14.912<abc><angles>99.457 90.000 112.672<angles><comp>Hf6 Ga8 Cu4<comp><coord>Hf 0.388 0.777 0.071 Hf 0.056 0.111 0.401 Hf 0.723 0.446 0.734 Hf 0.280 0.560 0.262 Hf 0.947 0.894 0.597 Hf 0.613 0.227 0.930 Ga 0.612 0.224 0.538 Ga 0.279 0.558 0.873 Ga 0.099 0.197 0.073 Ga 0.767 0.533 0.401 Ga 0.435 0.871 0.736 Ga 0.569 0.137 0.263 Ga 0.242 0.484 0.599 Ga 0.910 0.819 0.933 Cu 0.711 0.423 0.129 Cu 0.374 0.747 0.461 Cu 0.040 0.081 0.795 Cu 0.956 0.911 0.205 <coord>
<forme>-2.09<forme><bg>0.0<bg><abc>5.505 5.506 5.507<abc><angles>119.607 119.604 90.668<angles><comp>Co1 Fe1 O6 Sr2<comp><coord>Co 0.500 0.500 0.000 Fe 1.000 1.000 0.000 O 0.741 0.741 1.000 O 0.249 0.751 0.000 O 0.249 0.249 0.498 O 0.259 0.259 0.000 O 0.751 0.249 1.000 O 0.751 0.751 0.502 Sr 0.250 0.750 0.500 Sr 0.750 0.250 0.500 <coord>
<forme>-0.48<forme><bg>0.0<bg><abc>3.895 5.690 6.790<abc><angles>90.000 90.000 110.012<angles><comp>Th2 Fe4 Si2 C2<comp><coord>Th 0.941 0.883 0.750 Th 0.059 0.117 0.250 Fe 0.664 0.328 0.939 Fe 0.664 0.328 0.561 Fe 0.336 0.672 0.061 Fe 0.336 0.672 0.439 Si 0.225 0.449 0.750 Si 0.775 0.551 0.250 C 0.500 1.000 0.500 C 0.500 1.000 1.000 <coord>
<forme>-0.5<forme><bg>0.0<bg><abc>3.696 7.461 7.461<abc><angles>90.000 90.000 90.000<angles><comp>Y4 In2 Ni4<comp><coord>Y 0.500 0.674 0.174 Y 0.500 0.326 0.826 Y 0.500 0.174 0.326 Y 0.500 0.826 0.674 In 0.000 0.500 0.500 In 0.000 0.000 0.000 Ni 0.000 0.120 0.620 Ni 0.000 0.880 0.380 Ni 0.000 0.620 0.880 Ni 0.000 0.380 0.120 <coord>
<forme>-0.11<forme><bg>0.0<bg><abc>4.930 4.935 7.871<abc><angles>89.991 89.988 60.220<angles><comp>Ca2 Ni10 H1<comp><coord>Ca 0.001 0.001 0.009 Ca 0.001 0.001 0.491 Ni 0.665 0.664 0.001 Ni 0.334 0.335 0.001 Ni 0.502 0.502 0.749 Ni 0.496 0.005 0.749 Ni 0.005 0.495 0.750 Ni 0.664 0.664 0.498 Ni 0.334 0.335 0.498 Ni 0.500 0.500 0.249 Ni 0.501 0.000 0.249 Ni 0.000 0.501 0.249 H 0.861 0.860 0.750 <coord>
<forme>-3.02<forme><bg>3.88<bg><abc>6.177 6.177 6.177<abc><angles>60.000 60.000 60.000<angles><comp>Ba2 La1 Sb1 O6<comp><coord>Ba 0.750 0.750 0.750 Ba 0.250 0.250 0.250 La 0.000 0.000 0.000 Sb 0.500 0.500 0.500 O 0.269 0.731 0.269 O 0.731 0.269 0.731 O 0.731 0.269 0.269 O 0.269 0.731 0.731 O 0.731 0.731 0.269 O 0.269 0.269 0.731 <coord>
<forme>-2.57<forme><bg>0.0<bg><abc>3.850 5.633 11.056<abc><angles>90.000 90.000 90.000<angles><comp>Sr4 Mn4 O10<comp><coord>Sr 0.000 0.218 0.867 Sr 0.000 0.782 0.133 Sr 0.000 0.718 0.633 Sr 0.000 0.282 0.367 Mn 0.500 0.243 0.624 Mn 0.500 0.757 0.376 Mn 0.500 0.743 0.876 Mn 0.500 0.257 0.124 O 0.500 0.500 0.500 O 0.500 0.000 0.000 O 0.500 0.973 0.731 O 0.500 0.027 0.269 O 0.500 0.473 0.769 O 0.500 0.527 0.231 O 0.000 0.202 0.598 O 0.000 0.798 0.402 O 0.000 0.298 0.098 O 0.000 0.702 0.902 <coord>
<forme>-1.46<forme><bg>0.0<bg><abc>3.986 10.995 11.070<abc><angles>90.000 90.000 90.000<angles><comp>U8 Se12<comp><coord>U 0.750 0.816 0.487 U 0.750 0.491 0.310 U 0.250 0.991 0.190 U 0.750 0.009 0.810 U 0.250 0.316 0.013 U 0.750 0.684 0.987 U 0.250 0.509 0.690 U 0.250 0.184 0.513 Se 0.250 0.555 0.125 Se 0.750 0.371 0.552 Se 0.250 0.629 0.448 Se 0.250 0.295 0.275 Se 0.250 0.205 0.775 Se 0.750 0.129 0.052 Se 0.750 0.705 0.725 Se 0.250 0.871 0.948 Se 0.750 0.795 0.225 Se 0.750 0.055 0.375 Se 0.750 0.445 0.875 Se 0.250 0.945 0.625 <coord>
<forme>-0.5<forme><bg>0.0<bg><abc>5.500 5.500 5.500<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Eu1 Hg2<comp><coord>Pm 0.000 0.000 0.000 Eu 0.500 0.500 0.500 Hg 0.750 0.750 0.750 Hg 0.250 0.250 0.250 <coord>
<forme>-0.43<forme><bg>0.0<bg><abc>4.767 7.968 8.945<abc><angles>90.000 90.000 90.000<angles><comp>Ca4 Mg4 Pb4<comp><coord>Ca 0.750 0.981 0.184 Ca 0.750 0.481 0.316 Ca 0.250 0.519 0.684 Ca 0.250 0.019 0.816 Mg 0.250 0.644 0.062 Mg 0.250 0.144 0.438 Mg 0.750 0.856 0.562 Mg 0.750 0.356 0.938 Pb 0.250 0.263 0.117 Pb 0.250 0.763 0.383 Pb 0.750 0.237 0.617 Pb 0.750 0.737 0.883 <coord>
<forme>-0.0<forme><bg>0.0<bg><abc>2.504 2.504 8.119<abc><angles>90.000 90.000 120.000<angles><comp>Co3 Ni1<comp><coord>Co 0.667 0.333 0.500 Co 0.000 0.000 0.747 Co 0.000 0.000 0.253 Ni 0.667 0.333 0.000 <coord>
<forme>-3.58<forme><bg>6.86<bg><abc>6.506 6.506 6.506<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 Y1 F6<comp><coord>Cs 0.750 0.750 0.750 Cs 0.250 0.250 0.250 Na 0.500 0.500 0.500 Y 0.000 0.000 0.000 F 0.761 0.761 0.239 F 0.761 0.239 0.239 F 0.239 0.761 0.761 F 0.239 0.761 0.239 F 0.239 0.239 0.761 F 0.761 0.239 0.761 <coord>
<forme>-0.57<forme><bg>0.0<bg><abc>4.125 4.125 4.168<abc><angles>90.000 90.000 120.000<angles><comp>Th1 Si2<comp><coord>Th 0.000 0.000 0.000 Si 0.333 0.667 0.500 Si 0.667 0.333 0.500 <coord>
<forme>-2.87<forme><bg>0.0<bg><abc>4.033 4.033 7.118<abc><angles>106.457 106.457 90.000<angles><comp>Ce2 Bi1 O2<comp><coord>Ce 0.659 0.659 0.317 Ce 0.341 0.341 0.683 Bi 0.000 0.000 0.000 O 0.750 0.250 0.500 O 0.250 0.750 0.500 <coord>
<forme>-1.17<forme><bg>1.78<bg><abc>3.595 6.015 6.136<abc><angles>90.000 90.000 90.000<angles><comp>Y2 W2 N6<comp><coord>Y 0.000 0.153 0.289 Y 0.000 0.847 0.789 W 0.500 0.691 0.319 W 0.500 0.309 0.819 N 0.500 0.107 0.586 N 0.500 0.585 0.695 N 0.000 0.772 0.417 N 0.500 0.893 0.086 N 0.000 0.228 0.917 N 0.500 0.415 0.195 <coord>
<forme>-0.34<forme><bg>0.0<bg><abc>5.385 5.385 5.385<abc><angles>60.000 60.000 60.000<angles><comp>Ac2 Ni1 Ge1<comp><coord>Ac 0.250 0.250 0.250 Ac 0.750 0.750 0.750 Ni 0.000 0.000 0.000 Ge 0.500 0.500 0.500 <coord>
<forme>-0.27<forme><bg>0.0<bg><abc>8.815 8.815 8.815<abc><angles>109.471 109.471 109.471<angles><comp>Pr12 Ni6 Pb1<comp><coord>Pr 0.495 0.185 0.309 Pr 0.505 0.815 0.691 Pr 0.124 0.815 0.309 Pr 0.876 0.185 0.691 Pr 0.185 0.691 0.876 Pr 0.815 0.309 0.124 Pr 0.815 0.691 0.505 Pr 0.185 0.309 0.495 Pr 0.309 0.124 0.815 Pr 0.691 0.876 0.185 Pr 0.691 0.505 0.815 Pr 0.309 0.495 0.185 Ni 0.500 0.880 0.380 Ni 0.500 0.120 0.620 Ni 0.120 0.620 0.500 Ni 0.880 0.380 0.500 Ni 0.620 0.500 0.120 Ni 0.380 0.500 0.880 Pb 0.000 0.000 0.000 <coord>
<forme>-1.76<forme><bg>0.01<bg><abc>3.613 3.613 19.717<abc><angles>84.744 84.744 60.000<angles><comp>Zr4 Br4 O1<comp><coord>Zr 0.897 0.897 0.309 Zr 0.395 0.395 0.814 Zr 0.603 0.603 0.190 Zr 0.104 0.104 0.688 Br 0.302 0.302 0.095 Br 0.804 0.804 0.587 Br 0.198 0.198 0.405 Br 0.696 0.696 0.911 O 0.432 0.432 0.704 <coord>
<forme>-0.56<forme><bg>0.0<bg><abc>4.636 4.664 17.531<abc><angles>90.000 97.599 90.000<angles><comp>Ce4 Sn10<comp><coord>Ce 0.432 0.000 0.863 Ce 0.568 1.000 0.137 Ce 0.297 0.000 0.594 Ce 0.703 1.000 0.406 Sn 0.000 0.000 0.000 Sn 0.500 0.500 0.000 Sn 0.137 0.000 0.275 Sn 0.863 0.000 0.725 Sn 0.362 0.500 0.724 Sn 0.638 0.500 0.276 Sn 0.070 0.500 0.141 Sn 0.930 0.500 0.859 Sn 0.220 0.500 0.440 Sn 0.780 0.500 0.560 <coord>
<forme>-0.17<forme><bg>0.0<bg><abc>4.197 4.197 4.197<abc><angles>60.000 60.000 60.000<angles><comp>Nb1 Zn1 Co2<comp><coord>Nb 0.500 0.500 0.500 Zn 0.000 0.000 0.000 Co 0.250 0.250 0.250 Co 0.750 0.750 0.750 <coord>
<forme>-1.62<forme><bg>0.0<bg><abc>2.887 5.971 6.507<abc><angles>104.841 102.816 90.000<angles><comp>Li1 Cr1 Co2 O6<comp><coord>Li 0.000 0.000 0.000 Cr 0.000 0.500 0.000 Co 0.672 0.829 0.343 Co 0.328 0.171 0.657 O 0.838 0.378 0.676 O 0.516 0.742 0.033 O 0.484 0.258 0.967 O 0.175 0.043 0.350 O 0.162 0.622 0.324 O 0.825 0.957 0.650 <coord>
<forme>-0.8<forme><bg>0.0<bg><abc>3.886 3.886 9.828<abc><angles>90.000 90.000 90.000<angles><comp>Er2 Cu2 As4<comp><coord>Er 0.000 0.500 0.763 Er 0.500 0.000 0.237 Cu 0.500 0.500 0.500 Cu 0.000 0.000 0.500 As 0.000 0.000 0.000 As 0.500 0.500 0.000 As 0.000 0.500 0.337 As 0.500 0.000 0.663 <coord>
<forme>-0.58<forme><bg>0.0<bg><abc>3.885 4.043 8.011<abc><angles>75.385 90.000 90.000<angles><comp>Lu2 Ge4<comp><coord>Lu 0.750 0.898 0.205 Lu 0.250 0.102 0.795 Ge 0.750 0.253 0.495 Ge 0.250 0.747 0.505 Ge 0.750 0.556 0.888 Ge 0.250 0.444 0.112 <coord>
<forme>-2.52<forme><bg>0.08<bg><abc>5.881 6.055 6.055<abc><angles>73.874 84.214 95.786<angles><comp>Y2 Bi2 O7<comp><coord>Y 0.000 0.308 0.308 Y 0.000 0.692 0.692 Bi 0.394 0.259 0.741 Bi 0.606 0.741 0.259 O 0.182 0.414 0.946 O 0.182 0.054 0.586 O 0.745 0.457 0.543 O 0.500 0.000 0.000 O 0.255 0.543 0.457 O 0.818 0.586 0.054 O 0.818 0.946 0.414 <coord>
<forme>-2.07<forme><bg>0.62<bg><abc>5.117 5.475 5.947<abc><angles>73.428 85.357 67.379<angles><comp>Li2 Cu1 W2 O8<comp><coord>Li 0.936 0.586 0.225 Li 0.064 0.414 0.775 Cu 0.500 0.500 0.000 W 0.272 0.975 0.343 W 0.728 0.025 0.657 O 0.721 0.729 0.912 O 0.139 0.780 0.642 O 0.279 0.271 0.088 O 0.661 0.798 0.431 O 0.754 0.254 0.820 O 0.861 0.220 0.358 O 0.246 0.746 0.180 O 0.339 0.202 0.569 <coord>
<forme>-0.37<forme><bg>0.0<bg><abc>7.242 7.242 7.242<abc><angles>109.471 109.471 109.471<angles><comp>Nd1 Fe4 As12<comp><coord>Nd 0.000 0.000 0.000 Fe 0.500 0.000 0.000 Fe 0.000 0.000 0.500 Fe 0.000 0.500 0.000 Fe 0.500 0.500 0.500 As 0.499 0.156 0.342 As 0.501 0.844 0.658 As 0.186 0.844 0.342 As 0.814 0.156 0.658 As 0.156 0.658 0.814 As 0.844 0.342 0.186 As 0.844 0.658 0.501 As 0.156 0.342 0.499 As 0.342 0.186 0.844 As 0.658 0.814 0.156 As 0.658 0.501 0.844 As 0.342 0.499 0.156 <coord>
<forme>-2.16<forme><bg>3.44<bg><abc>5.423 5.473 5.897<abc><angles>63.578 64.339 60.976<angles><comp>Li7 Sb1 O6<comp><coord>Li 0.105 0.740 0.621 Li 0.476 0.144 0.619 Li 0.348 0.346 0.993 Li 0.623 0.641 0.051 Li 0.498 0.901 0.367 Li 0.912 0.240 0.355 Li 0.792 0.500 0.625 Sb 0.005 0.986 0.006 O 0.087 0.363 0.792 O 0.235 0.917 0.235 O 0.634 0.218 0.232 O 0.381 0.766 0.766 O 0.783 0.095 0.747 O 0.891 0.632 0.233 <coord>
<forme>-2.15<forme><bg>1.44<bg><abc>3.758 6.508 12.786<abc><angles>90.000 90.000 106.783<angles><comp>Er4 Mg2 S8<comp><coord>Er 0.618 0.236 0.217 Er 0.382 0.764 0.717 Er 0.862 0.724 0.418 Er 0.138 0.276 0.918 Mg 0.874 0.748 0.054 Mg 0.126 0.252 0.554 S 0.211 0.423 0.364 S 0.789 0.577 0.864 S 0.512 0.024 0.002 S 0.488 0.976 0.502 S 0.236 0.473 0.105 S 0.764 0.527 0.605 S 0.964 0.927 0.232 S 0.036 0.073 0.732 <coord>
<forme>-2.6<forme><bg>0.0<bg><abc>5.283 5.417 7.374<abc><angles>92.358 90.000 90.000<angles><comp>V4 O6 F6<comp><coord>V 0.473 0.466 0.269 V 0.473 0.534 0.731 V 0.983 0.955 0.233 V 0.983 0.045 0.767 O 0.801 0.708 0.212 O 0.801 0.292 0.788 O 0.587 0.500 0.500 O 0.221 0.711 0.710 O 0.221 0.289 0.290 O 0.065 0.000 1.000 F 0.927 0.000 0.500 F 0.716 0.795 0.791 F 0.716 0.205 0.209 F 0.438 0.500 0.000 F 0.297 0.786 0.292 F 0.297 0.214 0.708 <coord>
<forme>-0.46<forme><bg>0.17<bg><abc>6.932 6.932 6.932<abc><angles>90.000 90.000 90.000<angles><comp>Cu8 Br8<comp><coord>Cu 0.629 0.629 0.629 Cu 0.871 0.371 0.129 Cu 0.129 0.871 0.371 Cu 0.371 0.129 0.871 Cu 0.371 0.371 0.371 Cu 0.129 0.629 0.871 Cu 0.871 0.129 0.629 Cu 0.629 0.871 0.129 Br 0.155 0.155 0.155 Br 0.345 0.845 0.655 Br 0.655 0.345 0.845 Br 0.845 0.655 0.345 Br 0.845 0.845 0.845 Br 0.655 0.155 0.345 Br 0.345 0.655 0.155 Br 0.155 0.345 0.655 <coord>
<forme>-1.01<forme><bg>0.0<bg><abc>4.218 4.218 5.828<abc><angles>111.217 111.217 90.000<angles><comp>La1 P2 Pd2<comp><coord>La 0.000 0.000 0.000 P 0.387 0.387 0.773 P 0.613 0.613 0.227 Pd 0.750 0.250 0.500 Pd 0.250 0.750 0.500 <coord>
<forme>-0.79<forme><bg>1.68<bg><abc>6.346 6.823 6.823<abc><angles>116.518 91.459 88.541<angles><comp>Y4 Zn6 N8<comp><coord>Y 0.642 0.770 0.486 Y 0.858 0.486 0.770 Y 0.358 0.230 0.514 Y 0.142 0.514 0.230 Zn 0.030 0.932 0.237 Zn 0.470 0.237 0.932 Zn 0.970 0.068 0.763 Zn 0.530 0.763 0.068 Zn 0.750 0.261 0.261 Zn 0.250 0.739 0.739 N 0.332 0.846 0.313 N 0.168 0.313 0.846 N 0.668 0.154 0.687 N 0.832 0.687 0.154 N 0.976 0.748 0.649 N 0.524 0.649 0.748 N 0.024 0.252 0.351 N 0.476 0.351 0.252 <coord>
<forme>-2.26<forme><bg>2.86<bg><abc>5.890 5.890 5.890<abc><angles>90.153 119.919 119.905<angles><comp>Fe4 Si2 O8<comp><coord>Fe 0.750 0.125 0.375 Fe 0.250 0.625 0.375 Fe 0.250 0.625 0.875 Fe 0.750 0.625 0.375 Si 0.000 1.000 1.000 Si 0.500 0.250 0.750 O 0.769 0.884 0.116 O 0.231 0.347 0.116 O 0.231 0.884 0.116 O 0.769 0.884 0.653 O 0.731 0.366 0.634 O 0.269 0.903 0.634 O 0.269 0.366 0.634 O 0.731 0.366 0.097 <coord>
<forme>-0.22<forme><bg>0.0<bg><abc>4.021 5.630 5.662<abc><angles>119.813 110.800 90.000<angles><comp>Pr2 Al1 Co2<comp><coord>Pr 0.802 0.302 0.604 Pr 0.198 0.698 0.396 Al 0.000 0.000 0.000 Co 0.500 0.730 0.000 Co 0.500 0.270 0.000 <coord>
<forme>-0.62<forme><bg>0.1<bg><abc>4.246 6.130 17.092<abc><angles>90.000 90.000 90.000<angles><comp>In6 As2 Se6<comp><coord>In 0.500 0.492 0.934 In 0.000 0.992 0.066 In 0.000 0.998 0.306 In 0.500 0.490 0.437 In 0.000 0.990 0.563 In 0.500 0.498 0.694 As 0.000 0.749 0.434 As 0.500 0.249 0.566 Se 0.500 0.244 0.813 Se 0.000 0.761 0.934 Se 0.500 0.261 0.066 Se 0.000 0.744 0.187 Se 0.500 0.266 0.304 Se 0.000 0.766 0.696 <coord>
<forme>-1.22<forme><bg>1.34<bg><abc>5.558 7.196 7.196<abc><angles>81.422 67.282 67.282<angles><comp>K4 Cu4 O4<comp><coord>K 0.748 0.189 0.811 K 0.748 0.811 0.189 K 0.440 0.811 0.811 K 0.063 0.189 0.189 Cu 0.111 0.500 0.778 Cu 0.389 0.500 0.222 Cu 0.111 0.778 0.500 Cu 0.389 0.222 0.500 O 0.239 0.777 0.223 O 0.239 0.223 0.777 O 0.538 0.223 0.223 O 0.985 0.777 0.777 <coord>
<forme>-0.22<forme><bg>0.0<bg><abc>4.752 7.492 7.492<abc><angles>60.114 89.877 89.877<angles><comp>Co2 B6 Rh12<comp><coord>Co 0.005 0.908 0.550 Co 0.005 0.550 0.908 B 0.259 0.812 0.812 B 0.260 0.376 0.815 B 0.260 0.815 0.376 B 0.759 0.190 0.190 B 0.761 0.620 0.188 B 0.761 0.188 0.620 Rh 0.166 0.127 0.127 Rh 0.166 0.749 0.122 Rh 0.166 0.122 0.749 Rh 0.679 0.872 0.872 Rh 0.671 0.250 0.877 Rh 0.671 0.877 0.250 Rh 0.493 0.667 0.667 Rh 0.989 0.332 0.332 Rh 0.510 0.457 0.457 Rh 0.502 0.078 0.460 Rh 0.502 0.460 0.078 Rh 0.009 0.550 0.550 <coord>
<forme>-0.14<forme><bg>0.0<bg><abc>2.931 2.931 2.931<abc><angles>90.000 90.000 90.000<angles><comp>Ti1 Be1<comp><coord>Ti 0.500 0.500 0.500 Be 0.000 0.000 0.000 <coord>
<forme>-0.47<forme><bg>0.0<bg><abc>4.654 4.654 4.654<abc><angles>60.000 60.000 60.000<angles><comp>Cd1 In1 Pd2<comp><coord>Cd 0.500 0.500 0.500 In 0.000 0.000 0.000 Pd 0.750 0.750 0.750 Pd 0.250 0.250 0.250 <coord>
<forme>-0.8<forme><bg>0.0<bg><abc>4.950 4.950 4.950<abc><angles>60.000 60.000 60.000<angles><comp>Th1 Sn1 Pd2<comp><coord>Th 0.500 0.500 0.500 Sn 0.000 0.000 0.000 Pd 0.250 0.250 0.250 Pd 0.750 0.750 0.750 <coord>
<forme>-0.79<forme><bg>0.0<bg><abc>4.887 4.887 4.887<abc><angles>60.000 60.000 60.000<angles><comp>Gd2 Ir1 Rh1<comp><coord>Gd 0.750 0.750 0.750 Gd 0.250 0.250 0.250 Ir 0.500 0.500 0.500 Rh 0.000 0.000 0.000 <coord>
<forme>-0.14<forme><bg>0.0<bg><abc>4.234 4.234 4.234<abc><angles>60.000 60.000 60.000<angles><comp>Be4 Cu2<comp><coord>Be 0.375 0.875 0.875 Be 0.875 0.875 0.375 Be 0.875 0.875 0.875 Be 0.875 0.375 0.875 Cu 0.500 0.500 0.500 Cu 0.250 0.250 0.250 <coord>
<forme>0.0<forme><bg>0.0<bg><abc>2.627 2.627 5.207<abc><angles>90.000 90.000 120.000<angles><comp>Zn2<comp><coord>Zn 0.667 0.333 0.750 Zn 0.333 0.667 0.250 <coord>
<forme>-1.92<forme><bg>2.13<bg><abc>6.843 6.843 6.843<abc><angles>107.757 107.757 107.757<angles><comp>K1 Zn4 Sb3 O12<comp><coord>K 0.504 0.504 0.504 Zn 0.975 0.361 0.489 Zn 0.489 0.975 0.361 Zn 0.361 0.489 0.975 Zn 0.018 0.018 0.018 Sb 0.932 0.804 0.346 Sb 0.804 0.346 0.932 Sb 0.346 0.932 0.804 O 0.106 0.345 0.038 O 0.345 0.038 0.106 O 0.749 0.269 0.609 O 0.269 0.609 0.749 O 0.038 0.106 0.345 O 0.609 0.749 0.269 O 0.014 0.882 0.679 O 0.679 0.014 0.882 O 0.882 0.679 0.014 O 0.264 0.836 0.464 O 0.464 0.264 0.836 O 0.836 0.464 0.264 <coord>
<forme>-1.62<forme><bg>2.07<bg><abc>3.487 6.697 10.316<abc><angles>101.603 99.375 104.328<angles><comp>Zn2 Bi4 O8<comp><coord>Zn 0.968 0.283 0.729 Zn 0.032 0.717 0.271 Bi 0.219 0.845 0.612 Bi 0.199 0.305 0.068 Bi 0.801 0.695 0.932 Bi 0.781 0.155 0.388 O 0.153 0.025 0.255 O 0.185 0.599 0.780 O 0.815 0.401 0.220 O 0.847 0.975 0.745 O 0.630 0.822 0.405 O 0.646 0.356 0.908 O 0.370 0.178 0.595 O 0.354 0.644 0.092 <coord>
<forme>-0.9<forme><bg>1.58<bg><abc>6.064 6.064 6.980<abc><angles>115.570 115.570 90.365<angles><comp>Li4 Cu4 S4<comp><coord>Li 0.639 0.639 0.278 Li 0.889 0.389 0.778 Li 0.361 0.361 0.722 Li 0.611 0.111 0.222 Cu 0.625 0.875 0.750 Cu 0.125 0.875 0.250 Cu 0.125 0.875 0.750 Cu 0.125 0.375 0.250 S 0.980 0.020 0.500 S 0.520 0.480 0.500 S 0.270 0.730 1.000 S 0.730 0.270 1.000 <coord>
<forme>-0.68<forme><bg>0.0<bg><abc>5.994 6.014 7.166<abc><angles>82.584 73.966 60.730<angles><comp>V1 Cu1 P2 S6<comp><coord>V 0.349 0.348 0.989 Cu 0.593 0.666 0.205 P 0.051 0.001 0.839 P 0.951 0.995 0.157 S 0.573 0.302 0.244 S 0.111 0.308 0.773 S 0.735 0.032 0.764 S 0.228 0.043 0.238 S 0.959 0.651 0.243 S 0.386 0.653 0.760 <coord>
<forme>-1.82<forme><bg>1.92<bg><abc>6.071 6.086 7.972<abc><angles>90.000 87.168 90.000<angles><comp>Rb4 Na2 Mn2 O8<comp><coord>Rb 0.882 0.250 0.173 Rb 0.118 0.750 0.827 Rb 0.695 0.750 0.516 Rb 0.305 0.250 0.484 Na 0.384 0.250 0.966 Na 0.616 0.750 0.034 Mn 0.195 0.750 0.255 Mn 0.805 0.250 0.745 O 0.669 0.477 0.829 O 0.331 0.977 0.171 O 0.331 0.523 0.171 O 0.669 0.023 0.829 O 0.796 0.250 0.530 O 0.073 0.250 0.808 O 0.204 0.750 0.470 O 0.927 0.750 0.192 <coord>
<forme>-0.53<forme><bg>0.0<bg><abc>4.161 4.161 17.180<abc><angles>83.044 83.044 60.000<angles><comp>Gd2 Al6 Si4 Pt1<comp><coord>Gd 0.434 0.434 0.699 Gd 0.566 0.566 0.301 Al 0.682 0.682 0.955 Al 0.950 0.950 0.149 Al 0.050 0.050 0.851 Al 0.318 0.318 0.045 Al 0.185 0.185 0.445 Al 0.815 0.815 0.555 Si 0.135 0.135 0.594 Si 0.733 0.733 0.800 Si 0.865 0.865 0.406 Si 0.267 0.267 0.200 Pt 0.000 0.000 0.000 <coord>
<forme>-2.24<forme><bg>4.61<bg><abc>6.358 6.358 8.023<abc><angles>90.004 90.004 60.002<angles><comp>Rb3 Na1 W2 O8<comp><coord>Rb 0.000 0.000 0.500 Rb 0.333 0.333 0.169 Rb 0.667 0.667 0.831 Na 0.000 0.000 0.000 W 0.333 0.333 0.724 W 0.667 0.667 0.276 O 0.178 0.643 0.805 O 0.643 0.178 0.805 O 0.178 0.178 0.805 O 0.822 0.357 0.195 O 0.357 0.822 0.195 O 0.822 0.822 0.195 O 0.333 0.333 0.499 O 0.667 0.667 0.501 <coord>
<forme>-0.56<forme><bg>0.07<bg><abc>6.182 6.219 7.606<abc><angles>66.245 66.400 90.843<angles><comp>In2 Cu1 Ag1 Te2 Se2<comp><coord>In 0.742 0.242 0.516 In 0.506 0.506 0.988 Cu 0.010 0.010 0.979 Ag 0.239 0.739 0.522 Te 0.647 0.110 0.236 Te 0.118 0.654 0.236 Se 0.356 0.353 0.762 Se 0.882 0.886 0.762 <coord>
<forme>-0.9<forme><bg>0.21<bg><abc>6.886 7.617 7.840<abc><angles>72.621 63.951 63.128<angles><comp>W2 Br8<comp><coord>W 0.301 0.000 0.000 W 0.699 0.000 0.000 Br 0.287 0.242 0.711 Br 0.240 0.758 0.289 Br 0.713 0.758 0.289 Br 0.760 0.242 0.711 Br 0.702 0.766 0.829 Br 0.298 0.234 0.171 Br 0.833 0.192 0.142 Br 0.167 0.808 0.858 <coord>
<forme>-0.47<forme><bg>0.0<bg><abc>3.769 6.361 7.174<abc><angles>90.000 90.000 90.000<angles><comp>Nb4 Co4 Ge4<comp><coord>Nb 0.750 0.521 0.685 Nb 0.750 0.021 0.815 Nb 0.250 0.479 0.315 Nb 0.250 0.979 0.185 Co 0.750 0.640 0.064 Co 0.750 0.140 0.436 Co 0.250 0.360 0.936 Co 0.250 0.860 0.564 Ge 0.750 0.268 0.117 Ge 0.750 0.768 0.383 Ge 0.250 0.732 0.883 Ge 0.250 0.232 0.617 <coord>
<forme>-1.61<forme><bg>0.0<bg><abc>5.894 5.894 6.707<abc><angles>63.933 63.933 60.000<angles><comp>Ti3 V1 S6<comp><coord>Ti 0.000 0.000 0.000 Ti 0.332 0.332 0.004 Ti 0.668 0.668 0.996 V 0.500 0.500 0.500 S 0.583 0.914 0.255 S 0.248 0.583 0.255 S 0.914 0.248 0.255 S 0.086 0.752 0.745 S 0.752 0.417 0.745 S 0.417 0.086 0.745 <coord>
<forme>-2.18<forme><bg>4.8<bg><abc>3.996 3.996 3.996<abc><angles>90.000 90.000 90.000<angles><comp>Rb1 Cl1<comp><coord>Rb 0.000 0.000 0.000 Cl 0.500 0.500 0.500 <coord>
<forme>-2.5<forme><bg>0.0<bg><abc>5.335 5.338 6.846<abc><angles>90.000 112.933 90.000<angles><comp>Ca4 Ru2 O8<comp><coord>Ca 0.346 0.000 0.693 Ca 0.154 0.500 0.307 Ca 0.846 0.500 0.693 Ca 0.654 0.000 0.307 Ru 0.000 0.000 0.000 Ru 0.500 0.500 0.000 O 0.666 0.500 0.332 O 0.834 0.000 0.668 O 0.334 0.500 0.668 O 0.166 0.000 0.332 O 0.819 0.319 0.000 O 0.681 0.819 0.000 O 0.181 0.681 1.000 O 0.319 0.181 0.000 <coord>
<forme>-0.56<forme><bg>3.88<bg><abc>3.751 3.751 4.117<abc><angles>90.000 90.000 90.000<angles><comp>Li2 H4 N2<comp><coord>Li 0.500 0.500 0.000 Li 0.000 0.000 0.000 H 0.147 0.647 0.591 H 0.353 0.147 0.409 H 0.853 0.353 0.591 H 0.647 0.853 0.409 N 0.000 0.500 0.754 N 0.500 0.000 0.246 <coord>
<forme>-1.41<forme><bg>0.86<bg><abc>7.600 7.807 7.600<abc><angles>60.874 90.000 119.126<angles><comp>Cs2 Au2 Cl6<comp><coord>Cs 0.250 0.500 0.250 Cs 0.750 0.500 0.750 Au 0.500 0.000 0.500 Au 0.000 0.000 0.000 Cl 0.295 0.590 0.705 Cl 0.705 0.410 0.295 Cl 0.780 0.000 0.780 Cl 0.780 0.000 0.220 Cl 0.220 0.000 0.220 Cl 0.220 0.000 0.780 <coord>
<forme>-0.66<forme><bg>2.25<bg><abc>7.755 8.814 11.489<abc><angles>90.000 91.375 90.000<angles><comp>Ga8 I12<comp><coord>Ga 0.569 0.403 0.442 Ga 0.546 0.128 0.769 Ga 0.954 0.628 0.731 Ga 0.069 0.097 0.942 Ga 0.931 0.903 0.058 Ga 0.454 0.872 0.231 Ga 0.046 0.372 0.269 Ga 0.431 0.597 0.558 I 0.146 0.991 0.735 I 0.354 0.491 0.765 I 0.145 0.699 0.456 I 0.645 0.801 0.956 I 0.646 0.509 0.235 I 0.855 0.330 0.919 I 0.854 0.009 0.265 I 0.645 0.830 0.581 I 0.355 0.170 0.419 I 0.855 0.301 0.544 I 0.355 0.199 0.044 I 0.145 0.670 0.081 <coord>
<forme>-0.73<forme><bg>0.0<bg><abc>4.468 4.468 4.468<abc><angles>60.000 60.000 60.000<angles><comp>Yb1 Ga1 Rh2<comp><coord>Yb 0.000 0.000 0.000 Ga 0.500 0.500 0.500 Rh 0.250 0.250 0.250 Rh 0.750 0.750 0.750 <coord>
<forme>-2.57<forme><bg>1.47<bg><abc>5.266 5.979 6.007<abc><angles>60.175 72.608 89.931<angles><comp>Li4 Ti2 Fe2 O8<comp><coord>Li 1.000 0.500 1.000 Li 1.000 1.000 1.000 Li 0.501 0.253 0.999 Li 0.498 0.747 0.001 Ti 0.476 0.746 0.508 Ti 0.524 0.254 0.492 Fe 1.000 0.500 0.500 Fe 0.000 0.000 0.500 O 0.745 0.643 0.714 O 0.720 0.131 0.738 O 0.255 0.357 0.286 O 0.280 0.869 0.262 O 0.276 0.879 0.733 O 0.276 0.389 0.733 O 0.724 0.121 0.267 O 0.724 0.611 0.267 <coord>
<forme>-0.35<forme><bg>0.0<bg><abc>5.012 5.012 8.694<abc><angles>73.249 73.249 60.000<angles><comp>Sm3 Ni9<comp><coord>Sm 0.861 0.861 0.417 Sm 0.139 0.139 0.583 Sm 0.000 0.000 0.000 Ni 0.918 0.419 0.244 Ni 0.419 0.419 0.244 Ni 0.419 0.918 0.244 Ni 0.082 0.581 0.756 Ni 0.581 0.581 0.756 Ni 0.581 0.082 0.756 Ni 0.667 0.667 0.999 Ni 0.333 0.333 0.001 Ni 0.500 0.500 0.500 <coord>
<forme>-0.03<forme><bg>0.64<bg><abc>3.833 8.543 9.902<abc><angles>104.433 90.000 102.965<angles><comp>Ge6 As6<comp><coord>Ge 0.260 0.520 0.210 Ge 0.740 0.480 0.790 Ge 0.369 0.739 0.080 Ge 0.631 0.261 0.920 Ge 0.933 0.865 0.409 Ge 0.067 0.135 0.591 As 0.661 0.322 0.180 As 0.339 0.678 0.820 As 0.963 0.927 0.173 As 0.037 0.073 0.827 As 0.346 0.693 0.454 As 0.654 0.307 0.546 <coord>
<forme>-2.68<forme><bg>0.0<bg><abc>5.567 5.567 7.856<abc><angles>89.628 89.628 88.966<angles><comp>Ba2 Y2 Mn4 O12<comp><coord>Ba 0.753 0.753 0.994 Ba 0.247 0.247 0.006 Y 0.231 0.231 0.507 Y 0.769 0.769 0.493 Mn 0.749 0.253 0.258 Mn 0.747 0.251 0.742 Mn 0.251 0.747 0.742 Mn 0.253 0.749 0.258 O 0.968 0.968 0.243 O 0.032 0.032 0.757 O 0.806 0.194 0.500 O 0.731 0.269 0.000 O 0.466 0.466 0.694 O 0.471 0.033 0.286 O 0.194 0.806 0.500 O 0.269 0.731 0.000 O 0.529 0.967 0.714 O 0.033 0.471 0.286 O 0.534 0.534 0.306 O 0.967 0.529 0.714 <coord>
<forme>-0.01<forme><bg>0.0<bg><abc>3.707 6.275 6.879<abc><angles>117.134 105.631 90.000<angles><comp>La3 Mg1<comp><coord>La 0.500 0.850 0.000 La 0.733 0.726 0.467 La 0.267 0.259 0.533 Mg 0.000 0.331 0.000 <coord>
<forme>-0.55<forme><bg>0.1<bg><abc>3.451 3.451 39.368<abc><angles>90.000 90.000 120.000<angles><comp>Te6 Mo1 W3 S2<comp><coord>Te 0.000 0.000 0.670 Te 0.000 0.000 0.295 Te 0.667 0.333 0.954 Te 0.667 0.333 0.860 Te 0.000 0.000 0.765 Te 0.000 0.000 0.390 Mo 0.000 0.000 0.907 W 0.000 0.000 0.530 W 0.667 0.333 0.718 W 0.667 0.333 0.342 S 0.667 0.333 0.568 S 0.667 0.333 0.492 <coord>
<forme>-2.52<forme><bg>5.25<bg><abc>7.993 7.993 7.993<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 K1 Er1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 K 0.500 0.500 0.500 Er 0.000 0.000 0.000 Cl 0.232 0.768 0.232 Cl 0.232 0.232 0.768 Cl 0.768 0.232 0.768 Cl 0.232 0.768 0.768 Cl 0.768 0.232 0.232 Cl 0.768 0.768 0.232 <coord>
<forme>-1.87<forme><bg>2.07<bg><abc>7.468 7.468 7.468<abc><angles>109.609 109.402 109.402<angles><comp>Sm4 Pb2 S8<comp><coord>Sm 0.881 0.756 0.375 Sm 0.381 0.625 0.506 Sm 0.119 0.494 0.875 Sm 0.619 0.125 0.244 Pb 0.500 0.250 0.750 Pb 0.000 0.000 0.000 S 0.253 0.863 0.267 S 0.596 0.733 0.986 S 0.753 0.517 0.613 S 0.096 0.236 0.483 S 0.904 0.387 0.140 S 0.404 0.390 0.137 S 0.747 0.014 0.610 S 0.247 0.860 0.764 <coord>
<forme>-0.36<forme><bg>0.0<bg><abc>4.207 4.207 21.782<abc><angles>90.000 90.000 120.000<angles><comp>Ca5 Al5 Si5<comp><coord>Ca 0.000 0.000 0.301 Ca 0.000 0.000 0.699 Ca 0.000 0.000 0.901 Ca 0.000 0.000 0.099 Ca 0.000 0.000 0.500 Al 0.667 0.333 0.412 Al 0.667 0.333 0.588 Al 0.333 0.667 0.809 Al 0.333 0.667 1.000 Al 0.333 0.667 0.191 Si 0.333 0.667 0.606 Si 0.667 0.333 0.793 Si 0.667 0.333 0.207 Si 0.333 0.667 0.394 Si 0.667 0.333 0.000 <coord>
<forme>-0.42<forme><bg>0.0<bg><abc>5.441 5.441 6.293<abc><angles>115.612 115.612 90.000<angles><comp>Cr10 B6<comp><coord>Cr 0.683 0.525 0.708 Cr 0.975 0.817 0.292 Cr 0.500 0.500 0.000 Cr 0.000 0.000 0.000 Cr 0.025 0.183 0.708 Cr 0.525 0.025 0.708 Cr 0.183 0.683 0.708 Cr 0.475 0.975 0.292 Cr 0.817 0.317 0.292 Cr 0.317 0.475 0.292 B 0.382 0.118 0.000 B 0.882 0.382 0.000 B 0.118 0.618 0.000 B 0.618 0.882 0.000 B 0.250 0.250 0.500 B 0.750 0.750 0.500 <coord>