# generated using pymatgen data_Si215Se _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 Si215Se _chemical_formula_sum 'Si215 Se1' _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 0.249967 0.249922 0.417391 1 Si Si2 1 0.249952 0.249929 0.749336 1 Si Si3 1 0.250033 0.583916 0.083230 1 Si Si4 1 0.249972 0.583587 0.416921 1 Si Si5 1 0.249888 0.583633 0.749772 1 Si Si6 1 0.249952 0.915996 0.083396 1 Si Si7 1 0.249723 0.916338 0.417015 1 Si Si8 1 0.250120 0.916307 0.749719 1 Si Si9 1 0.583986 0.250043 0.083366 1 Si Si10 1 0.583530 0.250162 0.417063 1 Si Si11 1 0.583666 0.249834 0.749749 1 Si Si12 1 0.583572 0.583579 0.083550 1 Si Si13 1 0.583284 0.583383 0.416876 1 Si Si14 1 0.583338 0.583263 0.749912 1 Si Si15 1 0.583503 0.916327 0.083386 1 Si Si16 1 0.583243 0.916595 0.416609 1 Si Si17 1 0.583277 0.916626 0.749966 1 Si Si18 1 0.915912 0.249944 0.083322 1 Si Si19 1 0.916284 0.249802 0.416952 1 Si Si20 1 0.916422 0.250127 0.749681 1 Si Si21 1 0.916329 0.583593 0.083177 1 Si Si22 1 0.916755 0.583213 0.416479 1 Si Si23 1 0.916543 0.583539 0.749900 1 Si Si24 1 0.916310 0.916326 0.083497 1 Si Si25 1 0.916398 0.916557 0.416761 1 Si Si26 1 0.916571 0.916555 0.750156 1 Si Si27 1 0.999488 0.999443 0.999471 1 Si Si28 1 0.999801 0.999887 0.333442 1 Si Si29 1 0.999746 0.999840 0.666656 1 Si Si30 1 0.998924 0.333402 0.999909 1 Si Si31 1 0.999474 0.333731 0.333757 1 Si Si32 1 0.999965 0.333270 0.666427 1 Si Si33 1 0.999835 0.666776 0.999972 1 Si Si34 1 0.000002 0.666750 0.333356 1 Si Si35 1 0.000015 0.666695 0.666542 1 Si Si36 1 0.333348 0.999036 0.999985 1 Si Si37 1 0.333732 0.999455 0.333835 1 Si Si38 1 0.333370 0.999782 0.666535 1 Si Si39 1 0.339859 0.339776 0.993507 1 Si Si40 1 0.333369 0.333410 0.334437 1 Si Si41 1 0.333420 0.333344 0.666341 1 Si Si42 1 0.333521 0.666854 0.999796 1 Si Si43 1 0.333148 0.666818 0.333425 1 Si Si44 1 0.333404 0.666813 0.666679 1 Si Si45 1 0.666711 0.999768 0.000137 1 Si Si46 1 0.666658 0.999929 0.333431 1 Si Si47 1 0.666637 0.000075 0.666766 1 Si Si48 1 0.667011 0.333448 0.999915 1 Si Si49 1 0.666737 0.333287 0.333530 1 Si Si50 1 0.666869 0.333384 0.666677 1 Si Si51 1 0.666716 0.666775 0.000109 1 Si Si52 1 0.666609 0.666567 0.333386 1 Si Si53 1 0.666673 0.666564 0.666534 1 Si Si54 1 0.248470 0.082054 0.251320 1 Si Si55 1 0.250029 0.083083 0.583405 1 Si Si56 1 0.251413 0.082024 0.915370 1 Si Si57 1 0.251422 0.417810 0.251231 1 Si Si58 1 0.249976 0.416801 0.583435 1 Si Si59 1 0.248579 0.417849 0.915405 1 Si Si60 1 0.249852 0.749963 0.250030 1 Si Si61 1 0.250107 0.749948 0.583329 1 Si Si62 1 0.250063 0.749891 0.916503 1 Si Si63 1 0.583529 0.083417 0.250047 1 Si Si64 1 0.583484 0.083428 0.583323 1 Si Si65 1 0.583685 0.082931 0.916441 1 Si Si66 1 0.583702 0.416992 0.250387 1 Si Si67 1 0.583476 0.416621 0.583492 1 Si Si68 1 0.583684 0.416631 0.916668 1 Si Si69 1 0.583291 0.749868 0.250097 1 Si Si70 1 0.583315 0.749939 0.583199 1 Si Si71 1 0.583443 0.749998 0.916788 1 Si Si72 1 0.916130 0.082963 0.250309 1 Si Si73 1 0.916444 0.083228 0.583384 1 Si Si74 1 0.916336 0.083317 0.916737 1 Si Si75 1 0.916361 0.416553 0.249934 1 Si Si76 1 0.916753 0.416682 0.583224 1 Si Si77 1 0.916179 0.416956 0.916314 1 Si Si78 1 0.916653 0.749907 0.249907 1 Si Si79 1 0.916590 0.749986 0.583237 1 Si Si80 1 0.916494 0.749998 0.916722 1 Si Si81 1 0.998909 0.166466 0.166711 1 Si Si82 1 0.999766 0.166582 0.500182 1 Si Si83 1 0.999509 0.166097 0.832893 1 Si Si84 1 0.999507 0.500394 0.167120 1 Si Si85 1 0.000020 0.500042 0.499970 1 Si Si86 1 0.999852 0.500052 0.833190 1 Si Si87 1 0.999915 0.833104 0.166556 1 Si Si88 1 0.999931 0.833369 0.500029 1 Si Si89 1 0.999915 0.833104 0.833256 1 Si Si90 1 0.339798 0.160164 0.173294 1 Si Si91 1 0.333408 0.166452 0.500336 1 Si Si92 1 0.333409 0.166536 0.832330 1 Si Si93 1 0.333381 0.500905 0.166733 1 Si Si94 1 0.333196 0.500186 0.500216 1 Si Si95 1 0.333901 0.500366 0.832860 1 Si Si96 1 0.333416 0.832919 0.166720 1 Si Si97 1 0.333350 0.833262 0.500097 1 Si Si98 1 0.333329 0.833124 0.833210 1 Si Si99 1 0.666903 0.166559 0.166792 1 Si Si100 1 0.666806 0.166765 0.500182 1 Si Si101 1 0.666769 0.166576 0.833268 1 Si Si102 1 0.666806 0.500078 0.166689 1 Si Si103 1 0.666651 0.499937 0.500041 1 Si Si104 1 0.666810 0.500115 0.833210 1 Si Si105 1 0.666642 0.833112 0.166834 1 Si Si106 1 0.666691 0.833312 0.499923 1 Si Si107 1 0.666611 0.833343 0.833383 1 Si Si108 1 0.081980 0.248436 0.251228 1 Si Si109 1 0.083206 0.249836 0.583290 1 Si Si110 1 0.082027 0.251442 0.915395 1 Si Si111 1 0.083352 0.583579 0.249843 1 Si Si112 1 0.083368 0.583424 0.583194 1 Si Si113 1 0.082961 0.583687 0.916297 1 Si Si114 1 0.082911 0.916228 0.250334 1 Si Si115 1 0.083214 0.916556 0.583478 1 Si Si116 1 0.083339 0.916296 0.916672 1 Si Si117 1 0.417875 0.251493 0.251343 1 Si Si118 1 0.416778 0.249979 0.583243 1 Si Si119 1 0.417931 0.248475 0.915437 1 Si Si120 1 0.416855 0.583735 0.250319 1 Si Si121 1 0.416565 0.583413 0.583461 1 Si Si122 1 0.416786 0.583566 0.916541 1 Si Si123 1 0.416524 0.916301 0.250023 1 Si Si124 1 0.416719 0.916632 0.583194 1 Si Si125 1 0.416879 0.916258 0.916412 1 Si Si126 1 0.749858 0.250001 0.250150 1 Si Si127 1 0.750102 0.250027 0.583476 1 Si Si128 1 0.749909 0.249988 0.916472 1 Si Si129 1 0.749974 0.583277 0.250105 1 Si Si130 1 0.750113 0.583279 0.583167 1 Si Si131 1 0.749858 0.583486 0.916730 1 Si Si132 1 0.749813 0.916584 0.249981 1 Si Si133 1 0.749854 0.916675 0.583446 1 Si Si134 1 0.749938 0.916495 0.916835 1 Si Si135 1 0.166494 0.998992 0.166808 1 Si Si136 1 0.166583 0.999838 0.500267 1 Si Si137 1 0.166092 0.999485 0.832852 1 Si Si138 1 0.160088 0.339741 0.173157 1 Si Si139 1 0.166588 0.333387 0.500388 1 Si Si140 1 0.166554 0.333414 0.832307 1 Si Si141 1 0.166562 0.666923 0.166607 1 Si Si142 1 0.166629 0.666834 0.500095 1 Si Si143 1 0.166636 0.666821 0.833200 1 Si Si144 1 0.500322 0.999564 0.167323 1 Si Si145 1 0.500168 0.999965 0.500080 1 Si Si146 1 0.499956 0.999950 0.833320 1 Si Si147 1 0.500974 0.333419 0.166823 1 Si Si148 1 0.500104 0.333416 0.500236 1 Si Si149 1 0.500504 0.333783 0.832940 1 Si Si150 1 0.500026 0.666786 0.166669 1 Si Si151 1 0.499808 0.666679 0.500032 1 Si Si152 1 0.500205 0.666831 0.833190 1 Si Si153 1 0.833038 0.999840 0.166633 1 Si Si154 1 0.833126 0.999988 0.500035 1 Si Si155 1 0.833166 0.999810 0.833407 1 Si Si156 1 0.832922 0.333391 0.166770 1 Si Si157 1 0.833276 0.333373 0.500167 1 Si Si158 1 0.833151 0.333282 0.833149 1 Si Si159 1 0.833202 0.666652 0.166810 1 Si Si160 1 0.833414 0.666610 0.499784 1 Si Si161 1 0.833203 0.666733 0.833377 1 Si Si162 1 0.082021 0.081985 0.084735 1 Si Si163 1 0.082934 0.082957 0.417110 1 Si Si164 1 0.083274 0.083289 0.749707 1 Si Si165 1 0.082055 0.417873 0.081840 1 Si Si166 1 0.083375 0.416469 0.416870 1 Si Si167 1 0.083027 0.417001 0.749534 1 Si Si168 1 0.083244 0.749954 0.083163 1 Si Si169 1 0.083273 0.750015 0.416814 1 Si Si170 1 0.083358 0.749996 0.749809 1 Si Si171 1 0.417861 0.082104 0.081969 1 Si Si172 1 0.416588 0.083265 0.416940 1 Si Si173 1 0.416992 0.083042 0.749544 1 Si Si174 1 0.417953 0.417890 0.084774 1 Si Si175 1 0.416902 0.417042 0.417156 1 Si Si176 1 0.416670 0.416502 0.749722 1 Si Si177 1 0.416791 0.749918 0.083248 1 Si Si178 1 0.416478 0.749997 0.416728 1 Si Si179 1 0.416785 0.750073 0.749871 1 Si Si180 1 0.749867 0.083200 0.083330 1 Si Si181 1 0.749821 0.083378 0.416773 1 Si Si182 1 0.750079 0.083288 0.750053 1 Si Si183 1 0.749998 0.416837 0.083334 1 Si Si184 1 0.749987 0.416552 0.416828 1 Si Si185 1 0.750111 0.416776 0.749869 1 Si Si186 1 0.749949 0.749921 0.083535 1 Si Si187 1 0.750035 0.749993 0.416489 1 Si Si188 1 0.749827 0.749973 0.750009 1 Si Si189 1 0.160092 0.160111 0.993452 1 Si Si190 1 0.166495 0.166550 0.334378 1 Si Si191 1 0.166557 0.166447 0.666350 1 Si Si192 1 0.166561 0.500931 0.999834 1 Si Si193 1 0.166082 0.500355 0.333683 1 Si Si194 1 0.166683 0.500204 0.666502 1 Si Si195 1 0.166651 0.832975 0.999835 1 Si Si196 1 0.166608 0.833138 0.333440 1 Si Si197 1 0.166665 0.833189 0.666504 1 Si Si198 1 0.500993 0.166560 0.999996 1 Si Si199 1 0.500370 0.166174 0.333875 1 Si Si200 1 0.500135 0.166742 0.666464 1 Si Si201 1 0.500500 0.500425 0.999452 1 Si Si202 1 0.499983 0.500102 0.333426 1 Si Si203 1 0.500039 0.500024 0.666584 1 Si Si204 1 0.500085 0.833193 0.000040 1 Si Si205 1 0.499985 0.833139 0.333432 1 Si Si206 1 0.500043 0.833356 0.666526 1 Si Si207 1 0.832900 0.166553 0.999868 1 Si Si208 1 0.833049 0.166651 0.333438 1 Si Si209 1 0.833242 0.166571 0.666645 1 Si Si210 1 0.833118 0.500152 0.999962 1 Si Si211 1 0.833192 0.499928 0.333416 1 Si Si212 1 0.833458 0.500028 0.666555 1 Si Si213 1 0.833150 0.833131 0.000079 1 Si Si214 1 0.833308 0.833298 0.333150 1 Si Si215 1 0.833265 0.833279 0.666698 1 Se Se216 1 0.249961 0.249935 0.083349 1