# generated using pymatgen data_Si216Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 16.40618400 _cell_length_b 16.40618400 _cell_length_c 16.40618400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Si216Rh _chemical_formula_sum 'Si216 Rh1' _cell_volume 4415.93562766 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Si Si1 1 0.250118 0.250036 0.082948 1 Si Si2 1 0.250965 0.250344 0.417456 1 Si Si3 1 0.250258 0.249834 0.749726 1 Si Si4 1 0.251006 0.584299 0.083588 1 Si Si5 1 0.249687 0.583457 0.416634 1 Si Si6 1 0.250171 0.583096 0.749756 1 Si Si7 1 0.250270 0.916507 0.082938 1 Si Si8 1 0.250016 0.916418 0.416497 1 Si Si9 1 0.250102 0.916670 0.749692 1 Si Si10 1 0.583033 0.249922 0.083259 1 Si Si11 1 0.583060 0.250182 0.416591 1 Si Si12 1 0.583574 0.250134 0.750070 1 Si Si13 1 0.582645 0.583937 0.083319 1 Si Si14 1 0.583550 0.583083 0.416720 1 Si Si15 1 0.583417 0.583241 0.749659 1 Si Si16 1 0.582801 0.916289 0.083308 1 Si Si17 1 0.583619 0.916690 0.416452 1 Si Si18 1 0.583452 0.916825 0.749676 1 Si Si19 1 0.908268 0.249916 0.078971 1 Si Si20 1 0.916310 0.250035 0.417289 1 Si Si21 1 0.916801 0.250175 0.750194 1 Si Si22 1 0.915335 0.585355 0.083175 1 Si Si23 1 0.916815 0.582628 0.415912 1 Si Si24 1 0.916603 0.583755 0.749913 1 Si Si25 1 0.916650 0.916831 0.083267 1 Si Si26 1 0.916511 0.917110 0.416330 1 Si Si27 1 0.916805 0.916074 0.749308 1 Si Si28 1 0.000522 0.999166 0.999760 1 Si Si29 1 0.999744 0.000303 0.332657 1 Si Si30 1 0.000108 0.999736 0.666566 1 Si Si31 1 0.999711 0.332433 0.998000 1 Si Si32 1 0.001189 0.332626 0.335523 1 Si Si33 1 0.000016 0.333344 0.666705 1 Si Si34 1 0.000226 0.666847 0.999926 1 Si Si35 1 0.999765 0.667222 0.333647 1 Si Si36 1 0.000125 0.666867 0.666669 1 Si Si37 1 0.333550 0.999752 0.999647 1 Si Si38 1 0.334327 0.998901 0.333415 1 Si Si39 1 0.333519 0.999904 0.666445 1 Si Si40 1 0.334029 0.332800 0.999790 1 Si Si41 1 0.332680 0.333461 0.332553 1 Si Si42 1 0.333554 0.333148 0.666550 1 Si Si43 1 0.334027 0.666866 0.999620 1 Si Si44 1 0.333189 0.666541 0.333293 1 Si Si45 1 0.333539 0.666366 0.666373 1 Si Si46 1 0.666084 0.998888 0.999752 1 Si Si47 1 0.666838 0.000239 0.333257 1 Si Si48 1 0.666928 0.999854 0.666344 1 Si Si49 1 0.666542 0.333065 0.000006 1 Si Si50 1 0.666289 0.333467 0.333403 1 Si Si51 1 0.666730 0.333174 0.666722 1 Si Si52 1 0.666491 0.666803 0.000112 1 Si Si53 1 0.667197 0.665937 0.333436 1 Si Si54 1 0.666894 0.666334 0.666414 1 Si Si55 1 0.251271 0.081983 0.248989 1 Si Si56 1 0.249966 0.083353 0.583154 1 Si Si57 1 0.250120 0.083294 0.916445 1 Si Si58 1 0.248586 0.417636 0.249055 1 Si Si59 1 0.250009 0.416482 0.583439 1 Si Si60 1 0.251384 0.415689 0.915367 1 Si Si61 1 0.250108 0.750348 0.249837 1 Si Si62 1 0.250003 0.749847 0.583099 1 Si Si63 1 0.250432 0.750011 0.916281 1 Si Si64 1 0.583030 0.083343 0.249837 1 Si Si65 1 0.583611 0.083567 0.583016 1 Si Si66 1 0.583432 0.083068 0.916447 1 Si Si67 1 0.582962 0.416931 0.250048 1 Si Si68 1 0.583715 0.416658 0.582660 1 Si Si69 1 0.583178 0.416447 0.916499 1 Si Si70 1 0.583907 0.749639 0.250032 1 Si Si71 1 0.583384 0.750051 0.583089 1 Si Si72 1 0.583359 0.750005 0.916296 1 Si Si73 1 0.916532 0.085155 0.248996 1 Si Si74 1 0.916812 0.083392 0.583504 1 Si Si75 1 0.917664 0.081882 0.915369 1 Si Si76 1 0.918969 0.414557 0.247278 1 Si Si77 1 0.916601 0.416821 0.583466 1 Si Si78 1 0.916189 0.417915 0.917235 1 Si Si79 1 0.916418 0.750465 0.250118 1 Si Si80 1 0.916626 0.749713 0.582565 1 Si Si81 1 0.916853 0.750264 0.916444 1 Si Si82 1 0.002459 0.165730 0.167229 1 Si Si83 1 0.000085 0.166627 0.500283 1 Si Si84 1 0.000421 0.166376 0.832885 1 Si Si85 1 0.999976 0.503396 0.165828 1 Si Si86 1 0.999972 0.500478 0.500605 1 Si Si87 1 0.000160 0.500115 0.833454 1 Si Si88 1 0.999976 0.833325 0.166596 1 Si Si89 1 0.000026 0.833541 0.499813 1 Si Si90 1 0.000198 0.833250 0.833152 1 Si Si91 1 0.333840 0.166435 0.166252 1 Si Si92 1 0.334266 0.166324 0.500560 1 Si Si93 1 0.333515 0.166526 0.833182 1 Si Si94 1 0.333637 0.500171 0.166739 1 Si Si95 1 0.333082 0.499776 0.499878 1 Si Si96 1 0.334246 0.499853 0.832558 1 Si Si97 1 0.333541 0.833299 0.166565 1 Si Si98 1 0.333643 0.832970 0.499877 1 Si Si99 1 0.333624 0.833330 0.832930 1 Si Si100 1 0.666391 0.166545 0.166587 1 Si Si101 1 0.666870 0.166947 0.499845 1 Si Si102 1 0.666859 0.166241 0.833224 1 Si Si103 1 0.665663 0.500972 0.166901 1 Si Si104 1 0.667469 0.499565 0.499471 1 Si Si105 1 0.666701 0.499861 0.833526 1 Si Si106 1 0.666522 0.833591 0.166781 1 Si Si107 1 0.666967 0.833126 0.499883 1 Si Si108 1 0.666812 0.833111 0.832998 1 Si Si109 1 0.087917 0.246847 0.258920 1 Si Si110 1 0.083388 0.249932 0.583576 1 Si Si111 1 0.083539 0.249868 0.916171 1 Si Si112 1 0.083441 0.584728 0.250587 1 Si Si113 1 0.083287 0.583563 0.583730 1 Si Si114 1 0.083411 0.583570 0.916497 1 Si Si115 1 0.083171 0.916922 0.249781 1 Si Si116 1 0.083214 0.915996 0.583875 1 Si Si117 1 0.083734 0.916327 0.916407 1 Si Si118 1 0.416352 0.250227 0.249738 1 Si Si119 1 0.417174 0.250160 0.583621 1 Si Si120 1 0.417019 0.249680 0.916430 1 Si Si121 1 0.416802 0.583693 0.250043 1 Si Si122 1 0.416736 0.583105 0.583058 1 Si Si123 1 0.416980 0.583134 0.916410 1 Si Si124 1 0.417337 0.916029 0.249873 1 Si Si125 1 0.416707 0.916810 0.583026 1 Si Si126 1 0.416876 0.916599 0.916259 1 Si Si127 1 0.749052 0.249978 0.250277 1 Si Si128 1 0.750024 0.250142 0.583590 1 Si Si129 1 0.750040 0.249931 0.916648 1 Si Si130 1 0.750597 0.582758 0.250038 1 Si Si131 1 0.750160 0.583039 0.583254 1 Si Si132 1 0.749690 0.583714 0.916702 1 Si Si133 1 0.749993 0.916795 0.250149 1 Si Si134 1 0.750227 0.916720 0.583016 1 Si Si135 1 0.750144 0.916357 0.916472 1 Si Si136 1 0.166896 0.999319 0.166225 1 Si Si137 1 0.166952 0.998716 0.500849 1 Si Si138 1 0.166898 0.999797 0.833188 1 Si Si139 1 0.167997 0.330684 0.168021 1 Si Si140 1 0.166657 0.333183 0.500247 1 Si Si141 1 0.166916 0.332885 0.832859 1 Si Si142 1 0.166824 0.666942 0.166558 1 Si Si143 1 0.166480 0.666587 0.499989 1 Si Si144 1 0.167217 0.666463 0.833230 1 Si Si145 1 0.500047 0.999776 0.166612 1 Si Si146 1 0.500414 0.999809 0.499841 1 Si Si147 1 0.500113 0.999874 0.832973 1 Si Si148 1 0.499972 0.333389 0.166592 1 Si Si149 1 0.499848 0.333213 0.499746 1 Si Si150 1 0.500120 0.333109 0.833169 1 Si Si151 1 0.499856 0.667061 0.166698 1 Si Si152 1 0.500271 0.666268 0.499926 1 Si Si153 1 0.500225 0.666446 0.833033 1 Si Si154 1 0.833530 0.999806 0.166881 1 Si Si155 1 0.833528 0.000266 0.499866 1 Si Si156 1 0.833406 0.998971 0.832531 1 Si Si157 1 0.830245 0.333457 0.165446 1 Si Si158 1 0.833202 0.333345 0.500377 1 Si Si159 1 0.833715 0.333216 0.833864 1 Si Si160 1 0.832472 0.667621 0.166971 1 Si Si161 1 0.833566 0.665768 0.499545 1 Si Si162 1 0.833419 0.666642 0.833460 1 Si Si163 1 0.083351 0.083242 0.082964 1 Si Si164 1 0.082753 0.081743 0.417944 1 Si Si165 1 0.083467 0.082992 0.749811 1 Si Si166 1 0.083420 0.424459 0.080387 1 Si Si167 1 0.083321 0.417427 0.417649 1 Si Si168 1 0.083215 0.416636 0.750159 1 Si Si169 1 0.083424 0.750299 0.083238 1 Si Si170 1 0.083186 0.750360 0.416820 1 Si Si171 1 0.083300 0.749774 0.750221 1 Si Si172 1 0.416739 0.083015 0.083047 1 Si Si173 1 0.416831 0.083344 0.416443 1 Si Si174 1 0.416728 0.083405 0.749727 1 Si Si175 1 0.416494 0.416737 0.083261 1 Si Si176 1 0.416111 0.416717 0.416335 1 Si Si177 1 0.417223 0.416468 0.749371 1 Si Si178 1 0.416697 0.750288 0.083209 1 Si Si179 1 0.416824 0.749767 0.416535 1 Si Si180 1 0.416666 0.749918 0.749680 1 Si Si181 1 0.748664 0.081781 0.083835 1 Si Si182 1 0.750087 0.083765 0.416499 1 Si Si183 1 0.750228 0.083262 0.749833 1 Si Si184 1 0.748050 0.418102 0.083240 1 Si Si185 1 0.750751 0.416401 0.415873 1 Si Si186 1 0.749854 0.416700 0.750263 1 Si Si187 1 0.749436 0.750621 0.083364 1 Si Si188 1 0.750024 0.749638 0.416780 1 Si Si189 1 0.750019 0.749919 0.749648 1 Si Si190 1 0.166870 0.166404 0.999833 1 Si Si191 1 0.170584 0.161764 0.337018 1 Si Si192 1 0.166797 0.166426 0.666642 1 Si Si193 1 0.170103 0.500634 0.998188 1 Si Si194 1 0.166067 0.500194 0.333436 1 Si Si195 1 0.166681 0.499751 0.666757 1 Si Si196 1 0.167087 0.832947 0.999737 1 Si Si197 1 0.166580 0.833235 0.333222 1 Si Si198 1 0.166947 0.832676 0.666923 1 Si Si199 1 0.500249 0.166251 0.999848 1 Si Si200 1 0.499957 0.166733 0.333181 1 Si Si201 1 0.500540 0.166425 0.666738 1 Si Si202 1 0.500131 0.499773 0.000021 1 Si Si203 1 0.499836 0.499954 0.333492 1 Si Si204 1 0.500566 0.499665 0.666097 1 Si Si205 1 0.499996 0.833049 0.999712 1 Si Si206 1 0.500696 0.832649 0.333433 1 Si Si207 1 0.500171 0.833162 0.666486 1 Si Si208 1 0.831848 0.162139 0.998165 1 Si Si209 1 0.833366 0.167270 0.333244 1 Si Si210 1 0.833533 0.166663 0.666818 1 Si Si211 1 0.832877 0.500484 0.000658 1 Si Si212 1 0.835079 0.498171 0.331703 1 Si Si213 1 0.833478 0.499757 0.667075 1 Si Si214 1 0.833484 0.833134 0.000054 1 Si Si215 1 0.833169 0.833292 0.333626 1 Si Si216 1 0.833497 0.832705 0.666039 1 Rh Rh217 1 0.019120 0.313459 0.148465 1