# 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 0.251119 0.249373 0.082708 1 Si Si2 1 0.250698 0.250546 0.417381 1 Si Si3 1 0.250492 0.249513 0.749535 1 Si Si4 1 0.250697 0.584044 0.083882 1 Si Si5 1 0.249766 0.583523 0.416856 1 Si Si6 1 0.249953 0.583073 0.749821 1 Si Si7 1 0.250491 0.916200 0.082853 1 Si Si8 1 0.249959 0.916488 0.416407 1 Si Si9 1 0.250182 0.916442 0.749795 1 Si Si10 1 0.582952 0.249937 0.083263 1 Si Si11 1 0.582807 0.250107 0.417054 1 Si Si12 1 0.583124 0.250295 0.749835 1 Si Si13 1 0.582805 0.583719 0.083440 1 Si Si14 1 0.583404 0.583479 0.416792 1 Si Si15 1 0.583400 0.583316 0.750064 1 Si Si16 1 0.583128 0.916500 0.083627 1 Si Si17 1 0.583400 0.916737 0.416652 1 Si Si18 1 0.583526 0.916685 0.750022 1 Si Si19 1 0.907467 0.248491 0.081824 1 Si Si20 1 0.915465 0.250019 0.418657 1 Si Si21 1 0.916769 0.250197 0.750082 1 Si Si22 1 0.915465 0.585326 0.083350 1 Si Si23 1 0.916574 0.582829 0.416157 1 Si Si24 1 0.916390 0.583524 0.750213 1 Si Si25 1 0.916766 0.916749 0.083532 1 Si Si26 1 0.916393 0.916882 0.416864 1 Si Si27 1 0.916774 0.916146 0.749473 1 Si Si28 1 0.000519 0.998700 0.999420 1 Si Si29 1 0.000106 0.999986 0.333049 1 Si Si30 1 0.000121 0.999695 0.666503 1 Si Si31 1 0.001186 0.332143 0.997194 1 Si Si32 1 0.000085 0.333249 0.337142 1 Si Si33 1 0.999994 0.333338 0.666510 1 Si Si34 1 0.000182 0.666972 0.999941 1 Si Si35 1 0.999623 0.667538 0.334071 1 Si Si36 1 0.000124 0.666702 0.666754 1 Si Si37 1 0.333710 0.999625 0.999608 1 Si Si38 1 0.334298 0.999033 0.333315 1 Si Si39 1 0.333676 0.999661 0.666483 1 Si Si40 1 0.334634 0.332814 0.999419 1 Si Si41 1 0.333345 0.333230 0.333048 1 Si Si42 1 0.333636 0.333214 0.666503 1 Si Si43 1 0.334063 0.666830 0.999551 1 Si Si44 1 0.333102 0.666567 0.333202 1 Si Si45 1 0.333522 0.666464 0.666376 1 Si Si46 1 0.666505 0.999268 0.999550 1 Si Si47 1 0.666772 0.000232 0.333198 1 Si Si48 1 0.666872 0.999822 0.666362 1 Si Si49 1 0.666359 0.333152 0.999941 1 Si Si50 1 0.665792 0.333711 0.334068 1 Si Si51 1 0.666632 0.333213 0.666753 1 Si Si52 1 0.666782 0.666550 0.000193 1 Si Si53 1 0.667249 0.666088 0.333273 1 Si Si54 1 0.666848 0.666479 0.666526 1 Si Si55 1 0.251373 0.081959 0.248611 1 Si Si56 1 0.250258 0.083075 0.583147 1 Si Si57 1 0.250338 0.082997 0.916336 1 Si Si58 1 0.248674 0.417067 0.250404 1 Si Si59 1 0.250098 0.416569 0.583664 1 Si Si60 1 0.251370 0.415276 0.915291 1 Si Si61 1 0.250096 0.750332 0.249903 1 Si Si62 1 0.249881 0.749845 0.583194 1 Si Si63 1 0.250258 0.749810 0.916412 1 Si Si64 1 0.583004 0.083237 0.249902 1 Si Si65 1 0.583482 0.083454 0.583175 1 Si Si66 1 0.583527 0.083079 0.916413 1 Si Si67 1 0.582841 0.416978 0.250310 1 Si Si68 1 0.583734 0.416846 0.582928 1 Si Si69 1 0.583000 0.416575 0.916561 1 Si Si70 1 0.583735 0.749598 0.250180 1 Si Si71 1 0.583235 0.750099 0.583432 1 Si Si72 1 0.583493 0.749837 0.916788 1 Si Si73 1 0.916267 0.084657 0.250405 1 Si Si74 1 0.916765 0.083234 0.583664 1 Si Si75 1 0.918050 0.081962 0.915294 1 Si Si76 1 0.918973 0.414361 0.247692 1 Si Si77 1 0.916355 0.416978 0.583819 1 Si Si78 1 0.916267 0.417067 0.917988 1 Si Si79 1 0.916358 0.750490 0.250312 1 Si Si80 1 0.916487 0.749595 0.582929 1 Si Si81 1 0.916761 0.750335 0.916564 1 Si Si82 1 0.001181 0.163859 0.165480 1 Si Si83 1 0.000186 0.166611 0.500305 1 Si Si84 1 0.000522 0.166085 0.832032 1 Si Si85 1 0.000086 0.503809 0.166578 1 Si Si86 1 0.999619 0.500739 0.500869 1 Si Si87 1 0.000107 0.499710 0.833316 1 Si Si88 1 0.999994 0.833180 0.166672 1 Si Si89 1 0.000127 0.833418 0.500039 1 Si Si90 1 0.000116 0.833174 0.833024 1 Si Si91 1 0.334634 0.166086 0.166147 1 Si Si92 1 0.334065 0.166215 0.500166 1 Si Si93 1 0.333704 0.166272 0.832968 1 Si Si94 1 0.333343 0.499715 0.166565 1 Si Si95 1 0.333100 0.499864 0.499897 1 Si Si96 1 0.334293 0.499981 0.832365 1 Si Si97 1 0.333640 0.833170 0.166550 1 Si Si98 1 0.333509 0.833036 0.499807 1 Si Si99 1 0.333689 0.833138 0.833001 1 Si Si100 1 0.666359 0.166617 0.166477 1 Si Si101 1 0.666776 0.166859 0.499889 1 Si Si102 1 0.666502 0.166219 0.832601 1 Si Si103 1 0.665794 0.500737 0.167047 1 Si Si104 1 0.667242 0.499941 0.499408 1 Si Si105 1 0.666775 0.499864 0.833558 1 Si Si106 1 0.666634 0.833421 0.166547 1 Si Si107 1 0.666850 0.833200 0.499816 1 Si Si108 1 0.666876 0.833024 0.833154 1 Si Si109 1 0.084857 0.248474 0.259213 1 Si Si110 1 0.083400 0.249930 0.583712 1 Si Si111 1 0.083963 0.249368 0.915544 1 Si Si112 1 0.083313 0.585323 0.251200 1 Si Si113 1 0.083226 0.583722 0.583857 1 Si Si114 1 0.082785 0.584044 0.915965 1 Si Si115 1 0.083139 0.916748 0.249900 1 Si Si116 1 0.083046 0.916500 0.583545 1 Si Si117 1 0.083812 0.916202 0.916179 1 Si Si118 1 0.416583 0.250197 0.249900 1 Si Si119 1 0.416829 0.250291 0.583543 1 Si Si120 1 0.417131 0.249520 0.916179 1 Si Si121 1 0.416448 0.583528 0.250281 1 Si Si122 1 0.416598 0.583327 0.583266 1 Si Si123 1 0.416837 0.583069 0.916709 1 Si Si124 1 0.417192 0.916145 0.249891 1 Si Si125 1 0.416649 0.916688 0.583151 1 Si Si126 1 0.416901 0.916448 0.916502 1 Si Si127 1 0.748008 0.250019 0.251200 1 Si Si128 1 0.749611 0.250107 0.583857 1 Si Si129 1 0.749289 0.250554 0.915966 1 Si Si130 1 0.750504 0.582829 0.250092 1 Si Si131 1 0.749858 0.583464 0.583245 1 Si Si132 1 0.749817 0.583516 0.916898 1 Si Si133 1 0.749807 0.916883 0.250281 1 Si Si134 1 0.750013 0.916737 0.583265 1 Si Si135 1 0.750262 0.916492 0.916706 1 Si Si136 1 0.167247 0.998700 0.166146 1 Si Si137 1 0.167120 0.999266 0.500166 1 Si Si138 1 0.167063 0.999628 0.832967 1 Si Si139 1 0.169478 0.332149 0.165481 1 Si Si140 1 0.166718 0.333145 0.500308 1 Si Si141 1 0.167247 0.332811 0.832031 1 Si Si142 1 0.166716 0.666974 0.166478 1 Si Si143 1 0.166479 0.666557 0.499894 1 Si Si144 1 0.167118 0.666833 0.832603 1 Si Si145 1 0.500166 0.999694 0.166547 1 Si Si146 1 0.500299 0.999822 0.499792 1 Si Si147 1 0.500202 0.999654 0.832994 1 Si Si148 1 0.500150 0.333340 0.166672 1 Si Si149 1 0.499912 0.333207 0.500036 1 Si Si150 1 0.500161 0.333217 0.833025 1 Si Si151 1 0.499912 0.666700 0.166548 1 Si Si152 1 0.500133 0.666488 0.499815 1 Si Si153 1 0.500307 0.666450 0.833158 1 Si Si154 1 0.833620 0.999989 0.166567 1 Si Si155 1 0.833471 0.000231 0.499895 1 Si Si156 1 0.833349 0.999038 0.832361 1 Si Si157 1 0.829524 0.333246 0.166576 1 Si Si158 1 0.832593 0.333715 0.500868 1 Si Si159 1 0.833622 0.333233 0.833318 1 Si Si160 1 0.832596 0.667538 0.167047 1 Si Si161 1 0.833391 0.666082 0.499416 1 Si Si162 1 0.833469 0.666557 0.833559 1 Si Si163 1 0.083959 0.082212 0.082706 1 Si Si164 1 0.082787 0.082632 0.417381 1 Si Si165 1 0.083816 0.082840 0.749538 1 Si Si166 1 0.084848 0.425872 0.081813 1 Si Si167 1 0.083313 0.417866 0.418656 1 Si Si168 1 0.083140 0.416562 0.750077 1 Si Si169 1 0.083398 0.750379 0.083263 1 Si Si170 1 0.083228 0.750525 0.417056 1 Si Si171 1 0.083039 0.750209 0.749839 1 Si Si172 1 0.417132 0.082844 0.082855 1 Si Si173 1 0.416841 0.083377 0.416404 1 Si Si174 1 0.416894 0.083162 0.749789 1 Si Si175 1 0.416582 0.416568 0.083531 1 Si Si176 1 0.416449 0.416945 0.416863 1 Si Si177 1 0.417186 0.416559 0.749473 1 Si Si178 1 0.416831 0.750207 0.083627 1 Si Si179 1 0.416594 0.749944 0.416664 1 Si Si180 1 0.416660 0.749814 0.750028 1 Si Si181 1 0.749288 0.082637 0.083882 1 Si Si182 1 0.749813 0.083566 0.416855 1 Si Si183 1 0.750258 0.083382 0.749817 1 Si Si184 1 0.748006 0.417869 0.083349 1 Si Si185 1 0.750502 0.416759 0.416155 1 Si Si186 1 0.749809 0.416946 0.750212 1 Si Si187 1 0.749613 0.750526 0.083440 1 Si Si188 1 0.749865 0.749920 0.416801 1 Si Si189 1 0.750008 0.749922 0.750058 1 Si Si190 1 0.167156 0.166175 0.999513 1 Si Si191 1 0.170176 0.163156 0.334755 1 Si Si192 1 0.167097 0.166234 0.666221 1 Si Si193 1 0.170184 0.501421 0.996481 1 Si Si194 1 0.165779 0.500240 0.333574 1 Si Si195 1 0.166645 0.499832 0.666493 1 Si Si196 1 0.167097 0.832885 0.999569 1 Si Si197 1 0.166647 0.833163 0.333167 1 Si Si198 1 0.166963 0.833086 0.666425 1 Si Si199 1 0.500448 0.166236 0.999568 1 Si Si200 1 0.500171 0.166686 0.333165 1 Si Si201 1 0.500251 0.166376 0.666418 1 Si Si202 1 0.500170 0.499830 0.000017 1 Si Si203 1 0.499813 0.500132 0.333466 1 Si Si204 1 0.500579 0.499920 0.666081 1 Si Si205 1 0.500256 0.833078 0.999713 1 Si Si206 1 0.500581 0.832754 0.333256 1 Si Si207 1 0.500171 0.833167 0.666497 1 Si Si208 1 0.831902 0.163148 0.996479 1 Si Si209 1 0.833094 0.167556 0.333572 1 Si Si210 1 0.833504 0.166689 0.666492 1 Si Si211 1 0.833097 0.500236 0.000887 1 Si Si212 1 0.834968 0.498365 0.331695 1 Si Si213 1 0.833201 0.500135 0.666846 1 Si Si214 1 0.833503 0.833163 0.000018 1 Si Si215 1 0.833203 0.833518 0.333469 1 Si Si216 1 0.833411 0.832750 0.666084 1 Rh Rh217 1 0.023695 0.309627 0.142951 1