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<forme>-0.5<forme><bg>0.0<bg><abc>2.957 9.471 9.471<abc><angles>90.000 90.000 90.000<angles><comp>Mg4 Ge2 B4 Ir10<comp><coord>Mg 0.000 0.326 0.826 Mg 0.000 0.674 0.174 Mg 0.000 0.174 0.326 Mg 0.000 0.826 0.674 Ge 0.000 0.500 0.500 Ge 0.000 0.000 0.000 B 0.000 0.126 0.626 B 0.000 0.874 0.374 B 0.000 0.374 0.126 B 0.000 0.626 0.874 Ir 0.500 0.000 0.500 Ir 0.500 0.500 0.000 Ir 0.500 0.573 0.713 Ir 0.500 0.427 0.287 Ir 0.500 0.927 0.213 Ir 0.500 0.073 0.787 Ir 0.500 0.713 0.427 Ir 0.500 0.287 0.573 Ir 0.500 0.213 0.073 Ir 0.500 0.787 0.927 <coord> |
<forme>-0.96<forme><bg>0.0<bg><abc>7.209 7.209 7.209<abc><angles>109.471 109.471 109.471<angles><comp>Lu4 Ge6 Rh7<comp><coord>Lu 0.500 1.000 1.000 Lu 0.000 0.500 0.000 Lu 0.000 0.000 0.500 Lu 0.500 0.500 0.500 Ge 0.318 0.318 1.000 Ge 0.000 0.682 0.682 Ge 0.000 0.318 0.318 Ge 0.318 0.000 0.318 Ge 0.682 1.000 0.682 Ge 0.682 0.682 1.000 Rh 0.750 0.250 0.500 Rh 0.250 0.500 0.750 Rh 0.500 0.750 0.250 Rh 0.500 0.250 0.750 Rh 0.250 0.750 0.500 Rh 0.750 0.500 0.250 Rh 0.000 0.000 0.000 <coord> |
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<forme>-1.5<forme><bg>2.27<bg><abc>4.519 9.651 16.280<abc><angles>90.000 90.000 90.000<angles><comp>K4 Sn4 Br12<comp><coord>K 0.750 0.581 0.173 K 0.250 0.419 0.827 K 0.750 0.081 0.327 K 0.250 0.919 0.673 Sn 0.250 0.664 0.438 Sn 0.750 0.336 0.562 Sn 0.250 0.164 0.062 Sn 0.750 0.836 0.938 Br 0.750 0.841 0.503 Br 0.250 0.159 0.497 Br 0.750 0.341 0.997 Br 0.250 0.659 0.003 Br 0.250 0.525 0.619 Br 0.750 0.475 0.381 Br 0.250 0.025 0.881 Br 0.750 0.975 0.119 Br 0.250 0.799 0.286 Br 0.750 0.201 0.714 Br 0.250 0.299 0.214 Br 0.750 0.701 0.786 <coord> |
<forme>-2.14<forme><bg>0.0<bg><abc>6.063 6.063 6.063<abc><angles>61.076 61.076 61.076<angles><comp>Li1 Mn5 O7 F1<comp><coord>Li 0.237 0.237 0.237 Mn 0.623 0.623 0.623 Mn 0.013 0.013 0.013 Mn 0.123 0.633 0.633 Mn 0.633 0.633 0.123 Mn 0.633 0.123 0.633 O 0.382 0.824 0.382 O 0.382 0.382 0.824 O 0.866 0.866 0.425 O 0.878 0.878 0.878 O 0.866 0.425 0.866 O 0.425 0.866 0.866 O 0.824 0.382 0.382 F 0.366 0.366 0.366 <coord> |
<forme>-2.88<forme><bg>1.51<bg><abc>5.651 5.651 5.651<abc><angles>61.691 61.691 61.691<angles><comp>La2 Zn1 Mo1 O6<comp><coord>La 0.249 0.249 0.249 La 0.751 0.751 0.751 Zn 0.500 0.500 0.500 Mo 0.000 0.000 0.000 O 0.661 0.244 0.846 O 0.244 0.846 0.661 O 0.846 0.661 0.244 O 0.339 0.756 0.154 O 0.154 0.339 0.756 O 0.756 0.154 0.339 <coord> |
<forme>-0.8<forme><bg>0.0<bg><abc>4.318 4.318 5.678<abc><angles>112.347 112.347 90.000<angles><comp>Ce1 Si3 Pt1<comp><coord>Ce 0.600 0.600 0.201 Si 0.865 0.365 0.730 Si 0.365 0.865 0.730 Si 0.999 0.999 0.999 Pt 0.251 0.251 0.502 <coord> |
<forme>-1.49<forme><bg>2.02<bg><abc>8.030 8.345 11.165<abc><angles>85.068 70.627 61.333<angles><comp>Cs8 Pb4 O8<comp><coord>Cs 0.244 0.261 0.493 Cs 0.071 0.938 0.181 Cs 0.936 0.550 0.829 Cs 0.929 0.062 0.819 Cs 0.599 0.432 0.145 Cs 0.064 0.450 0.171 Cs 0.401 0.568 0.855 Cs 0.756 0.739 0.507 Pb 0.598 0.942 0.119 Pb 0.311 0.693 0.473 Pb 0.689 0.307 0.527 Pb 0.402 0.058 0.881 O 0.494 0.817 0.006 O 0.798 0.408 0.639 O 0.918 0.792 0.024 O 0.506 0.183 0.994 O 0.082 0.208 0.976 O 0.202 0.592 0.361 O 0.651 0.514 0.379 O 0.349 0.486 0.621 <coord> |
<forme>-0.29<forme><bg>0.0<bg><abc>4.999 4.999 4.999<abc><angles>60.000 60.000 60.000<angles><comp>Gd1 Mg1 Ag2<comp><coord>Gd 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>-1.46<forme><bg>1.61<bg><abc>7.000 7.126 9.201<abc><angles>90.000 72.365 90.000<angles><comp>K2 La2 Ge2 Se8<comp><coord>K 0.742 0.508 0.063 K 0.258 0.008 0.937 La 0.767 0.497 0.554 La 0.233 0.997 0.446 Ge 0.217 0.529 0.683 Ge 0.783 0.029 0.317 Se 0.582 0.082 0.575 Se 0.418 0.582 0.425 Se 0.013 0.255 0.716 Se 0.987 0.755 0.284 Se 0.029 0.272 0.269 Se 0.971 0.772 0.731 Se 0.418 0.533 0.847 Se 0.582 0.033 0.153 <coord> |
<forme>-2.34<forme><bg>0.0<bg><abc>3.795 5.330 10.028<abc><angles>90.000 90.000 110.858<angles><comp>Ti2 Fe4 O10<comp><coord>Ti 0.181 0.363 0.750 Ti 0.819 0.637 0.250 Fe 0.141 0.281 0.440 Fe 0.859 0.719 0.560 Fe 0.859 0.719 0.940 Fe 0.141 0.281 0.060 O 0.306 0.612 0.579 O 0.694 0.388 0.421 O 0.694 0.388 0.079 O 0.306 0.612 0.921 O 0.047 0.094 0.620 O 0.953 0.906 0.380 O 0.746 0.492 0.750 O 0.254 0.508 0.250 O 0.953 0.906 0.120 O 0.047 0.094 0.880 <coord> |
<forme>-0.66<forme><bg>0.0<bg><abc>5.994 6.843 5.994<abc><angles>115.978 90.000 115.978<angles><comp>Cu4 Ag4 O6<comp><coord>Cu 0.625 0.250 0.875 Cu 0.125 0.750 0.375 Cu 0.625 0.750 0.375 Cu 0.625 0.250 0.375 Ag 0.625 0.750 0.875 Ag 0.125 0.250 0.375 Ag 0.125 0.250 0.875 Ag 0.125 0.750 0.875 O 0.750 0.500 0.250 O 0.500 0.000 0.500 O 0.263 0.527 0.263 O 0.513 0.027 0.013 O 0.737 0.473 0.737 O 0.987 0.973 0.487 <coord> |
<forme>-1.94<forme><bg>1.48<bg><abc>7.670 7.670 7.670<abc><angles>108.724 109.846 109.846<angles><comp>Sm5 Ag1 Se8<comp><coord>Sm 0.616 0.117 0.239 Sm 0.878 0.761 0.378 Sm 0.384 0.622 0.501 Sm 0.500 0.250 0.750 Sm 0.122 0.499 0.883 Ag 0.000 0.000 0.000 Se 0.388 0.366 0.117 Se 0.893 0.391 0.133 Se 0.249 0.883 0.271 Se 0.107 0.240 0.497 Se 0.742 0.503 0.609 Se 0.258 0.867 0.760 Se 0.751 0.022 0.634 Se 0.612 0.729 0.978 <coord> |
<forme>-0.87<forme><bg>0.0<bg><abc>4.015 4.015 5.751<abc><angles>110.431 110.431 90.000<angles><comp>Ce1 Co1 Si2 Rh1<comp><coord>Ce 0.000 0.000 0.000 Co 0.250 0.750 0.500 Si 0.625 0.625 0.249 Si 0.375 0.375 0.751 Rh 0.750 0.250 0.500 <coord> |
<forme>-2.57<forme><bg>0.0<bg><abc>5.498 5.591 7.793<abc><angles>89.726 91.748 89.559<angles><comp>La4 Co4 O12<comp><coord>La 0.248 0.753 0.503 La 0.750 0.246 0.999 La 0.750 0.254 0.501 La 0.252 0.747 0.997 Co 0.250 0.250 0.750 Co 0.750 0.750 0.750 Co 0.750 0.750 0.250 Co 0.250 0.250 0.250 O 0.958 0.042 0.283 O 0.463 0.521 0.784 O 0.037 0.979 0.716 O 0.542 0.458 0.217 O 0.753 0.689 0.495 O 0.258 0.178 0.990 O 0.242 0.322 0.510 O 0.747 0.811 0.005 O 0.524 0.039 0.715 O 0.049 0.532 0.218 O 0.451 0.968 0.282 O 0.976 0.461 0.785 <coord> |
<forme>-0.99<forme><bg>0.0<bg><abc>3.736 7.457 7.457<abc><angles>120.000 90.000 90.000<angles><comp>Sc3 Sn3 Pt3<comp><coord>Sc 0.500 0.602 0.602 Sc 0.500 0.000 0.398 Sc 0.500 0.398 0.000 Sn 1.000 0.269 0.269 Sn 0.000 0.000 0.731 Sn 0.000 0.731 0.000 Pt 1.000 0.667 0.333 Pt 1.000 0.333 0.667 Pt 0.500 0.000 0.000 <coord> |
<forme>0.01<forme><bg>0.0<bg><abc>2.930 2.930 11.571<abc><angles>82.725 82.725 60.000<angles><comp>Cu1 Au4<comp><coord>Cu 0.000 0.000 0.000 Au 0.606 0.606 0.181 Au 0.202 0.202 0.394 Au 0.798 0.798 0.606 Au 0.394 0.394 0.819 <coord> |
<forme>-1.14<forme><bg>0.0<bg><abc>4.323 9.156 11.833<abc><angles>90.000 90.000 103.654<angles><comp>Cs2 Yb2 Zn2 Te6<comp><coord>Cs 0.744 0.487 0.750 Cs 0.256 0.513 0.250 Yb 0.000 0.000 0.000 Yb 0.000 0.000 0.500 Zn 0.462 0.925 0.750 Zn 0.538 0.075 0.250 Te 0.379 0.757 0.937 Te 0.621 0.243 0.063 Te 0.621 0.243 0.437 Te 0.379 0.757 0.563 Te 0.057 0.115 0.750 Te 0.943 0.885 0.250 <coord> |
<forme>-0.32<forme><bg>0.0<bg><abc>3.752 4.800 4.800<abc><angles>120.000 90.000 90.000<angles><comp>Be6 Ru2<comp><coord>Be 0.750 0.839 0.161 Be 0.750 0.321 0.161 Be 0.750 0.839 0.679 Be 0.250 0.161 0.839 Be 0.250 0.679 0.839 Be 0.250 0.161 0.321 Ru 0.250 0.667 0.333 Ru 0.750 0.333 0.667 <coord> |
<forme>-0.34<forme><bg>0.0<bg><abc>5.130 5.130 5.130<abc><angles>60.000 60.000 60.000<angles><comp>Pm1 Y1 Zn2<comp><coord>Pm 0.500 0.500 0.500 Y 0.000 0.000 0.000 Zn 0.750 0.750 0.750 Zn 0.250 0.250 0.250 <coord> |
<forme>-0.16<forme><bg>0.0<bg><abc>3.615 3.615 6.335<abc><angles>90.000 90.000 90.000<angles><comp>Mn4 As2<comp><coord>Mn 0.500 0.000 0.353 Mn 0.500 0.500 0.000 Mn 0.000 0.000 0.000 Mn 0.000 0.500 0.647 As 0.500 0.000 0.738 As 0.000 0.500 0.262 <coord> |
<forme>-3.57<forme><bg>6.01<bg><abc>6.583 6.583 6.583<abc><angles>60.000 60.000 60.000<angles><comp>K3 Tm1 F6<comp><coord>K 0.250 0.250 0.250 K 0.750 0.750 0.750 K 0.500 0.500 0.500 Tm 0.000 0.000 0.000 F 0.771 0.771 0.229 F 0.229 0.229 0.771 F 0.771 0.229 0.229 F 0.229 0.771 0.771 F 0.771 0.229 0.771 F 0.229 0.771 0.229 <coord> |
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<forme>-1.02<forme><bg>0.0<bg><abc>4.209 6.933 6.933<abc><angles>120.000 90.000 90.000<angles><comp>Yb3 As3 Pd3<comp><coord>Yb 0.500 0.000 0.579 Yb 0.500 0.579 0.000 Yb 0.500 0.421 0.421 As 1.000 0.333 0.667 As 0.000 0.667 0.333 As 0.500 0.000 0.000 Pd 1.000 0.759 0.759 Pd 0.000 0.241 0.000 Pd 0.000 0.000 0.241 <coord> |
<forme>-3.06<forme><bg>0.0<bg><abc>5.767 5.767 5.964<abc><angles>118.913 118.913 90.000<angles><comp>Nb1 Cr1 F6<comp><coord>Nb 0.000 0.000 0.000 Cr 0.500 0.500 0.000 F 0.777 0.777 0.554 F 0.223 0.223 0.446 F 0.748 0.252 0.000 F 0.748 0.748 1.000 F 0.252 0.252 1.000 F 0.252 0.748 1.000 <coord> |
<forme>-1.39<forme><bg>0.0<bg><abc>4.386 9.689 11.041<abc><angles>97.945 90.000 103.080<angles><comp>La6 Ge6 Br4<comp><coord>La 0.470 0.939 0.169 La 0.678 0.355 0.147 La 0.322 0.645 0.853 La 0.530 0.061 0.831 La 0.612 0.224 0.488 La 0.388 0.776 0.512 Ge 0.932 0.864 0.956 Ge 0.977 0.953 0.384 Ge 0.093 0.186 0.280 Ge 0.023 0.047 0.616 Ge 0.907 0.814 0.720 Ge 0.068 0.136 0.044 Br 0.225 0.449 0.609 Br 0.300 0.599 0.130 Br 0.775 0.551 0.391 Br 0.700 0.401 0.870 <coord> |
<forme>-2.21<forme><bg>0.0<bg><abc>6.165 6.165 8.709<abc><angles>90.000 90.000 90.605<angles><comp>Ba4 Li1 Bi3 O11<comp><coord>Ba 0.976 0.499 0.755 Ba 0.976 0.499 0.245 Ba 0.499 0.976 0.245 Ba 0.499 0.976 0.755 Li 0.533 0.533 1.000 Bi 0.989 0.989 0.000 Bi 0.001 0.001 0.500 Bi 0.492 0.492 0.500 O 0.024 0.024 0.753 O 0.024 0.024 0.247 O 0.251 0.747 0.500 O 0.250 0.250 0.500 O 0.248 0.753 0.000 O 0.496 0.496 0.744 O 0.496 0.496 0.256 O 0.753 0.248 0.000 O 0.747 0.251 0.500 O 0.752 0.752 1.000 O 0.745 0.745 0.500 <coord> |
<forme>-0.3<forme><bg>0.0<bg><abc>5.211 5.211 5.211<abc><angles>60.000 60.000 60.000<angles><comp>Y2 Mg1 Al1<comp><coord>Y 0.250 0.250 0.250 Y 0.750 0.750 0.750 Mg 0.000 0.000 0.000 Al 0.500 0.500 0.500 <coord> |
<forme>-0.89<forme><bg>0.0<bg><abc>3.821 6.479 7.301<abc><angles>90.000 90.000 90.000<angles><comp>Zr4 Si4 Ni4<comp><coord>Zr 0.250 0.016 0.815 Zr 0.250 0.516 0.685 Zr 0.750 0.984 0.185 Zr 0.750 0.484 0.315 Si 0.250 0.774 0.386 Si 0.250 0.274 0.114 Si 0.750 0.226 0.614 Si 0.750 0.726 0.886 Ni 0.250 0.141 0.439 Ni 0.250 0.641 0.061 Ni 0.750 0.859 0.561 Ni 0.750 0.359 0.939 <coord> |
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<forme>-0.89<forme><bg>0.0<bg><abc>7.009 7.009 7.009<abc><angles>60.000 60.000 60.000<angles><comp>Cr4 Fe1 Cu1 S8<comp><coord>Cr 0.868 0.377 0.377 Cr 0.377 0.377 0.868 Cr 0.377 0.868 0.377 Cr 0.377 0.377 0.377 Fe 0.000 0.000 0.000 Cu 0.750 0.750 0.750 S 0.133 0.601 0.133 S 0.133 0.133 0.133 S 0.133 0.133 0.601 S 0.601 0.133 0.133 S 0.617 0.149 0.617 S 0.617 0.617 0.617 S 0.149 0.617 0.617 S 0.617 0.617 0.149 <coord> |
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<forme>-1.49<forme><bg>0.0<bg><abc>4.112 6.689 9.844<abc><angles>90.002 89.997 90.000<angles><comp>Ba2 Fe4 S4 O2<comp><coord>Ba 0.500 0.026 0.500 Ba 0.000 0.974 1.000 Fe 0.500 0.378 0.834 Fe 1.000 0.622 0.334 Fe 0.500 0.378 0.166 Fe 0.000 0.622 0.666 S 0.500 0.732 0.211 S 0.500 0.732 0.789 S 0.000 0.268 0.711 S 1.000 0.268 0.289 O 0.500 0.224 1.000 O 1.000 0.776 0.500 <coord> |
<forme>-0.52<forme><bg>0.0<bg><abc>4.256 5.686 15.265<abc><angles>82.491 81.986 68.019<angles><comp>Ho6 Ga8 Co4<comp><coord>Ho 0.283 0.698 0.736 Ho 0.618 0.690 0.075 Ho 0.955 0.701 0.389 Ho 0.382 0.299 0.938 Ho 0.715 0.303 0.267 Ho 0.050 0.301 0.600 Ga 0.394 0.679 0.533 Ga 0.723 0.680 0.874 Ga 0.903 0.110 0.084 Ga 0.234 0.119 0.412 Ga 0.566 0.121 0.746 Ga 0.428 0.894 0.249 Ga 0.755 0.906 0.583 Ga 0.084 0.910 0.922 Co 0.276 0.310 0.138 Co 0.625 0.288 0.461 Co 0.955 0.295 0.795 Co 0.053 0.696 0.199 <coord> |
<forme>-0.71<forme><bg>0.0<bg><abc>3.830 4.402 5.906<abc><angles>90.000 108.917 90.000<angles><comp>La1 Ce1 Ni1 Pt1<comp><coord>La 0.861 0.500 0.723 Ce 0.128 1.000 0.257 Ni 0.422 1.000 0.844 Pt 0.588 0.500 0.176 <coord> |
<forme>-0.7<forme><bg>0.0<bg><abc>3.928 3.928 3.928<abc><angles>90.000 90.000 90.000<angles><comp>Ta1 Ir3<comp><coord>Ta 0.000 0.000 0.000 Ir 0.500 0.500 0.000 Ir 0.500 0.000 0.500 Ir 0.000 0.500 0.500 <coord> |
<forme>-0.45<forme><bg>0.0<bg><abc>3.897 3.897 6.062<abc><angles>108.748 108.748 90.000<angles><comp>Lu1 Mn2 Ge2<comp><coord>Lu 0.000 0.000 0.000 Mn 0.750 0.250 0.500 Mn 0.250 0.750 0.500 Ge 0.617 0.617 0.234 Ge 0.383 0.383 0.766 <coord> |
<forme>-2.43<forme><bg>3.95<bg><abc>7.541 7.541 7.541<abc><angles>60.000 60.000 60.000<angles><comp>Cs2 Na1 Sc1 Cl6<comp><coord>Cs 0.250 0.250 0.250 Cs 0.750 0.750 0.750 Na 0.500 0.500 0.500 Sc 0.000 0.000 0.000 Cl 0.235 0.765 0.235 Cl 0.235 0.235 0.765 Cl 0.765 0.235 0.765 Cl 0.235 0.765 0.765 Cl 0.765 0.235 0.235 Cl 0.765 0.765 0.235 <coord> |
<forme>-1.21<forme><bg>2.08<bg><abc>5.692 6.053 6.971<abc><angles>115.730 114.094 90.000<angles><comp>Li6 Cu2 S4<comp><coord>Li 0.767 0.017 0.535 Li 0.767 0.517 0.535 Li 0.500 0.250 0.000 Li 0.500 0.750 1.000 Li 0.233 0.483 0.465 Li 0.233 0.983 0.465 Cu 0.000 0.500 0.000 Cu 0.000 0.000 0.000 S 0.409 0.134 0.268 S 0.859 0.634 0.268 S 0.141 0.366 0.732 S 0.591 0.866 0.732 <coord> |
<forme>-1.66<forme><bg>0.0<bg><abc>5.871 5.871 5.873<abc><angles>90.345 119.668 119.922<angles><comp>Li3 Cr1 Ni4 O8<comp><coord>Li 0.000 0.000 0.500 Li 0.500 0.000 0.500 Li 0.500 0.500 0.500 Cr 0.500 0.500 0.000 Ni 0.000 0.500 0.500 Ni 0.000 0.000 0.000 Ni 0.500 0.000 0.000 Ni 0.000 0.500 0.000 O 0.509 0.269 0.779 O 0.024 0.262 0.761 O 0.500 0.738 0.761 O 0.027 0.750 0.777 O 0.973 0.250 0.223 O 0.500 0.262 0.239 O 0.976 0.738 0.239 O 0.491 0.731 0.221 <coord> |
<forme>-0.75<forme><bg>0.0<bg><abc>3.891 8.288 8.288<abc><angles>120.000 90.000 90.000<angles><comp>Er6 Co1 Te2<comp><coord>Er 0.500 0.000 0.396 Er 0.500 0.396 0.000 Er 0.500 0.604 0.604 Er 0.000 0.237 0.237 Er 1.000 0.000 0.763 Er 1.000 0.763 1.000 Co 0.500 0.000 0.000 Te 0.000 0.333 0.667 Te 1.000 0.667 0.333 <coord> |
<forme>-0.31<forme><bg>0.0<bg><abc>3.978 4.891 4.891<abc><angles>120.000 90.000 90.000<angles><comp>Tb1 Cu1 Ni4<comp><coord>Tb 0.000 0.667 0.333 Cu 1.000 0.333 0.667 Ni 0.000 0.000 0.000 Ni 0.500 0.668 0.834 Ni 0.500 0.166 0.332 Ni 0.500 0.166 0.834 <coord> |
<forme>-0.41<forme><bg>0.0<bg><abc>4.192 4.192 4.192<abc><angles>60.000 60.000 60.000<angles><comp>Li1 V1 Rh2<comp><coord>Li 0.500 0.500 0.500 V 0.000 0.000 0.000 Rh 0.750 0.750 0.750 Rh 0.250 0.250 0.250 <coord> |
<forme>-0.97<forme><bg>0.37<bg><abc>4.489 4.489 4.489<abc><angles>60.000 60.000 60.000<angles><comp>Dy1 Ni1 Sb1<comp><coord>Dy 0.500 0.500 0.500 Ni 0.250 0.250 0.250 Sb 0.000 0.000 0.000 <coord> |
<forme>-3.65<forme><bg>0.0<bg><abc>5.265 5.648 7.620<abc><angles>90.000 90.000 90.000<angles><comp>Lu4 Ti4 O12<comp><coord>Lu 0.978 0.427 0.750 Lu 0.522 0.927 0.750 Lu 0.478 0.073 0.250 Lu 0.022 0.573 0.250 Ti 0.000 0.000 0.000 Ti 0.000 0.000 0.500 Ti 0.500 0.500 0.000 Ti 0.500 0.500 0.500 O 0.135 0.057 0.750 O 0.183 0.308 0.063 O 0.183 0.308 0.437 O 0.317 0.808 0.437 O 0.317 0.808 0.063 O 0.365 0.557 0.750 O 0.635 0.443 0.250 O 0.683 0.192 0.937 O 0.683 0.192 0.563 O 0.817 0.692 0.563 O 0.817 0.692 0.937 O 0.865 0.943 0.250 <coord> |
<forme>-1.02<forme><bg>0.0<bg><abc>5.905 6.029 8.783<abc><angles>72.211 79.645 68.407<angles><comp>Ca8 Cr2 N8<comp><coord>Ca 0.786 0.569 0.171 Ca 0.214 0.431 0.829 Ca 0.733 0.217 0.975 Ca 0.267 0.783 0.025 Ca 0.732 0.484 0.572 Ca 0.268 0.516 0.428 Ca 0.227 0.960 0.614 Ca 0.773 0.040 0.386 Cr 0.716 0.848 0.754 Cr 0.284 0.152 0.246 N 0.965 0.711 0.612 N 0.035 0.289 0.388 N 0.892 0.824 0.916 N 0.108 0.176 0.084 N 0.526 0.639 0.803 N 0.474 0.361 0.197 N 0.473 0.842 0.350 N 0.527 0.158 0.650 <coord> |
<forme>-2.76<forme><bg>0.0<bg><abc>3.928 3.928 10.569<abc><angles>100.708 100.708 90.000<angles><comp>Sr1 Nd2 Fe2 O7<comp><coord>Sr 0.685 0.685 0.369 Nd 0.508 0.508 0.017 Nd 0.320 0.320 0.639 Fe 0.903 0.903 0.806 Fe 0.101 0.101 0.203 O 0.899 0.399 0.797 O 0.399 0.899 0.797 O 0.091 0.591 0.182 O 0.591 0.091 0.182 O 0.801 0.801 0.601 O 0.203 0.203 0.407 O 0.999 0.999 0.999 <coord> |
<forme>-4.3<forme><bg>6.11<bg><abc>5.740 5.740 5.740<abc><angles>60.086 60.086 60.086<angles><comp>Sc2 F6<comp><coord>Sc 0.000 0.000 0.000 Sc 0.500 0.500 0.500 F 0.773 0.250 0.727 F 0.250 0.727 0.773 F 0.727 0.773 0.250 F 0.227 0.750 0.273 F 0.750 0.273 0.227 F 0.273 0.227 0.750 <coord> |
<forme>-0.65<forme><bg>0.0<bg><abc>4.171 4.171 6.742<abc><angles>90.000 90.000 120.000<angles><comp>Ce1 Zn1 Ag1 P2<comp><coord>Ce 0.667 0.333 0.993 Zn 0.333 0.667 0.370 Ag 0.000 0.000 0.636 P 0.000 0.000 0.248 P 0.333 0.667 0.754 <coord> |
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