# generated using pymatgen data_VSi216 _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 VSi216 _chemical_formula_sum 'V1 Si216' _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 V V1 1 0.000050 0.333042 0.166428 1 Si Si2 1 0.250203 0.249126 0.082510 1 Si Si3 1 0.250080 0.250613 0.416324 1 Si Si4 1 0.249912 0.249635 0.749908 1 Si Si5 1 0.250103 0.583026 0.083833 1 Si Si6 1 0.250499 0.583310 0.416650 1 Si Si7 1 0.250015 0.582990 0.749743 1 Si Si8 1 0.250025 0.916427 0.083015 1 Si Si9 1 0.250032 0.916414 0.416281 1 Si Si10 1 0.250060 0.916460 0.749734 1 Si Si11 1 0.583689 0.249863 0.083183 1 Si Si12 1 0.583521 0.249644 0.416329 1 Si Si13 1 0.583162 0.249977 0.749510 1 Si Si14 1 0.583526 0.582976 0.082974 1 Si Si15 1 0.583484 0.583007 0.416303 1 Si Si16 1 0.583481 0.582997 0.749720 1 Si Si17 1 0.583232 0.916197 0.083307 1 Si Si18 1 0.583431 0.916385 0.416334 1 Si Si19 1 0.583589 0.916484 0.749832 1 Si Si20 1 0.913050 0.246115 0.079677 1 Si Si21 1 0.916044 0.249066 0.416560 1 Si Si22 1 0.917022 0.249888 0.749977 1 Si Si23 1 0.916086 0.583212 0.082482 1 Si Si24 1 0.917553 0.583049 0.416344 1 Si Si25 1 0.916785 0.582867 0.749793 1 Si Si26 1 0.916983 0.916554 0.083189 1 Si Si27 1 0.916769 0.916383 0.416278 1 Si Si28 1 0.917062 0.916273 0.749599 1 Si Si29 1 0.000448 0.999932 0.000298 1 Si Si30 1 0.999821 0.999712 0.332760 1 Si Si31 1 0.000274 0.000014 0.666747 1 Si Si32 1 0.999336 0.332316 0.000694 1 Si Si33 1 0.999953 0.333000 0.336083 1 Si Si34 1 0.000197 0.333132 0.666544 1 Si Si35 1 0.999877 0.666684 0.999935 1 Si Si36 1 0.000463 0.666583 0.333126 1 Si Si37 1 0.000248 0.666383 0.666677 1 Si Si38 1 0.333538 0.999780 0.999904 1 Si Si39 1 0.333488 0.999760 0.333120 1 Si Si40 1 0.333453 0.999886 0.666429 1 Si Si41 1 0.333672 0.332918 0.999952 1 Si Si42 1 0.333666 0.333416 0.333029 1 Si Si43 1 0.333391 0.333092 0.666746 1 Si Si44 1 0.333301 0.666237 0.999830 1 Si Si45 1 0.333678 0.666527 0.333070 1 Si Si46 1 0.333516 0.666435 0.666525 1 Si Si47 1 0.666464 0.999372 0.999804 1 Si Si48 1 0.666799 0.999628 0.333087 1 Si Si49 1 0.666903 0.999835 0.666473 1 Si Si50 1 0.666943 0.333480 0.000296 1 Si Si51 1 0.666819 0.332774 0.332845 1 Si Si52 1 0.667043 0.333112 0.666705 1 Si Si53 1 0.666869 0.666470 0.999817 1 Si Si54 1 0.666701 0.666565 0.333089 1 Si Si55 1 0.666903 0.666437 0.666441 1 Si Si56 1 0.250548 0.082745 0.248827 1 Si Si57 1 0.250015 0.083232 0.582970 1 Si Si58 1 0.250357 0.082925 0.916356 1 Si Si59 1 0.250220 0.417108 0.250397 1 Si Si60 1 0.250350 0.416480 0.583370 1 Si Si61 1 0.250564 0.415522 0.916067 1 Si Si62 1 0.250369 0.749962 0.249797 1 Si Si63 1 0.250202 0.749835 0.583129 1 Si Si64 1 0.250069 0.749688 0.916526 1 Si Si65 1 0.583696 0.083253 0.249822 1 Si Si66 1 0.583512 0.083226 0.583095 1 Si Si67 1 0.583587 0.083249 0.916576 1 Si Si68 1 0.583692 0.416358 0.249695 1 Si Si69 1 0.583686 0.416260 0.583260 1 Si Si70 1 0.583695 0.416514 0.916604 1 Si Si71 1 0.583597 0.749947 0.249598 1 Si Si72 1 0.583622 0.749779 0.583114 1 Si Si73 1 0.583577 0.749770 0.916570 1 Si Si74 1 0.916780 0.084082 0.250002 1 Si Si75 1 0.916864 0.083019 0.583384 1 Si Si76 1 0.917726 0.082420 0.915772 1 Si Si77 1 0.916498 0.419162 0.252578 1 Si Si78 1 0.917026 0.416379 0.582991 1 Si Si79 1 0.916876 0.416616 0.917662 1 Si Si80 1 0.917027 0.749677 0.249721 1 Si Si81 1 0.917128 0.749551 0.582953 1 Si Si82 1 0.916864 0.749986 0.916353 1 Si Si83 1 0.999292 0.167018 0.165689 1 Si Si84 1 0.999862 0.166565 0.500026 1 Si Si85 1 0.000472 0.167028 0.833402 1 Si Si86 1 0.000003 0.502681 0.166385 1 Si Si87 1 0.000440 0.499809 0.499893 1 Si Si88 1 0.999833 0.499386 0.833167 1 Si Si89 1 0.000203 0.833187 0.166451 1 Si Si90 1 0.000242 0.833290 0.499787 1 Si Si91 1 0.000255 0.833350 0.833288 1 Si Si92 1 0.333715 0.166597 0.166250 1 Si Si93 1 0.333230 0.166540 0.499497 1 Si Si94 1 0.333487 0.166507 0.833186 1 Si Si95 1 0.333636 0.499724 0.166670 1 Si Si96 1 0.333658 0.499730 0.499871 1 Si Si97 1 0.333510 0.499787 0.833034 1 Si Si98 1 0.333491 0.833309 0.166465 1 Si Si99 1 0.333521 0.833212 0.499748 1 Si Si100 1 0.333477 0.833144 0.833170 1 Si Si101 1 0.666929 0.166911 0.166757 1 Si Si102 1 0.666860 0.166470 0.499823 1 Si Si103 1 0.666408 0.166495 0.832675 1 Si Si104 1 0.666807 0.499532 0.166140 1 Si Si105 1 0.666748 0.499751 0.499804 1 Si Si106 1 0.666838 0.499767 0.832998 1 Si Si107 1 0.666998 0.833286 0.166430 1 Si Si108 1 0.666880 0.833122 0.499767 1 Si Si109 1 0.666929 0.833130 0.833155 1 Si Si110 1 0.086142 0.249544 0.252588 1 Si Si111 1 0.083440 0.249961 0.582966 1 Si Si112 1 0.083669 0.249819 0.917738 1 Si Si113 1 0.084170 0.583175 0.250480 1 Si Si114 1 0.083615 0.583228 0.583327 1 Si Si115 1 0.082430 0.583629 0.915944 1 Si Si116 1 0.083442 0.916549 0.249661 1 Si Si117 1 0.083368 0.916697 0.583180 1 Si Si118 1 0.083606 0.916629 0.916698 1 Si Si119 1 0.416819 0.249935 0.249687 1 Si Si120 1 0.416511 0.250023 0.582905 1 Si Si121 1 0.417010 0.249789 0.916465 1 Si Si122 1 0.417080 0.583206 0.249753 1 Si Si123 1 0.416917 0.583074 0.583136 1 Si Si124 1 0.416777 0.582990 0.916528 1 Si Si125 1 0.416888 0.916655 0.249622 1 Si Si126 1 0.416857 0.916541 0.583105 1 Si Si127 1 0.416863 0.916486 0.916600 1 Si Si128 1 0.751139 0.249708 0.250051 1 Si Si129 1 0.750172 0.249722 0.583353 1 Si Si130 1 0.749346 0.250828 0.915629 1 Si Si131 1 0.749692 0.583600 0.248783 1 Si Si132 1 0.750285 0.583018 0.583005 1 Si Si133 1 0.749996 0.583302 0.916168 1 Si Si134 1 0.750417 0.916553 0.249769 1 Si Si135 1 0.750330 0.916436 0.583114 1 Si Si136 1 0.750331 0.916484 0.916558 1 Si Si137 1 0.166540 0.999775 0.166157 1 Si Si138 1 0.166773 0.999756 0.499714 1 Si Si139 1 0.166861 0.999793 0.833128 1 Si Si140 1 0.169636 0.333049 0.166331 1 Si Si141 1 0.166803 0.333489 0.499891 1 Si Si142 1 0.166463 0.332788 0.833269 1 Si Si143 1 0.166827 0.666551 0.166746 1 Si Si144 1 0.166907 0.666518 0.499866 1 Si Si145 1 0.166783 0.666571 0.832950 1 Si Si146 1 0.500343 0.999947 0.166477 1 Si Si147 1 0.500160 0.999858 0.499736 1 Si Si148 1 0.500204 0.999868 0.833156 1 Si Si149 1 0.500330 0.333118 0.166449 1 Si Si150 1 0.500344 0.333113 0.499795 1 Si Si151 1 0.500325 0.333156 0.833308 1 Si Si152 1 0.500361 0.666430 0.166437 1 Si Si153 1 0.500262 0.666484 0.499788 1 Si Si154 1 0.500212 0.666408 0.833185 1 Si Si155 1 0.834021 0.999855 0.166710 1 Si Si156 1 0.833634 0.999703 0.499831 1 Si Si157 1 0.833513 0.999467 0.832761 1 Si Si158 1 0.833997 0.332315 0.165740 1 Si Si159 1 0.833585 0.332902 0.500028 1 Si Si160 1 0.834111 0.333447 0.833284 1 Si Si161 1 0.833592 0.666715 0.166244 1 Si Si162 1 0.833585 0.666268 0.499555 1 Si Si163 1 0.833626 0.666455 0.833045 1 Si Si164 1 0.083682 0.084120 0.083180 1 Si Si165 1 0.082401 0.082719 0.416794 1 Si Si166 1 0.083605 0.083450 0.750057 1 Si Si167 1 0.086271 0.419360 0.082980 1 Si Si168 1 0.084144 0.417178 0.416479 1 Si Si169 1 0.083427 0.416295 0.749978 1 Si Si170 1 0.083470 0.749654 0.083271 1 Si Si171 1 0.083631 0.749986 0.416585 1 Si Si172 1 0.083405 0.750030 0.749792 1 Si Si173 1 0.417049 0.083108 0.083123 1 Si Si174 1 0.416770 0.083240 0.416304 1 Si Si175 1 0.416809 0.083291 0.749782 1 Si Si176 1 0.416812 0.416351 0.083261 1 Si Si177 1 0.417116 0.416476 0.416544 1 Si Si178 1 0.416925 0.416295 0.749927 1 Si Si179 1 0.416644 0.749585 0.083328 1 Si Si180 1 0.416912 0.749841 0.416382 1 Si Si181 1 0.416876 0.749756 0.749874 1 Si Si182 1 0.749418 0.082343 0.084085 1 Si Si183 1 0.749966 0.082783 0.416653 1 Si Si184 1 0.750309 0.083271 0.749803 1 Si Si185 1 0.751165 0.416718 0.083152 1 Si Si186 1 0.749755 0.415452 0.416834 1 Si Si187 1 0.750497 0.416488 0.749943 1 Si Si188 1 0.750178 0.749993 0.083039 1 Si Si189 1 0.750273 0.749731 0.416328 1 Si Si190 1 0.750353 0.749774 0.749770 1 Si Si191 1 0.167237 0.166097 0.999581 1 Si Si192 1 0.167696 0.164846 0.334049 1 Si Si193 1 0.166731 0.166507 0.666280 1 Si Si194 1 0.167676 0.500799 0.998049 1 Si Si195 1 0.167362 0.500277 0.333587 1 Si Si196 1 0.166763 0.499670 0.666590 1 Si Si197 1 0.166772 0.832947 0.999814 1 Si Si198 1 0.166806 0.833199 0.333004 1 Si Si199 1 0.166802 0.833206 0.666328 1 Si Si200 1 0.500351 0.166500 0.999827 1 Si Si201 1 0.500072 0.166450 0.333009 1 Si Si202 1 0.499877 0.166526 0.666152 1 Si Si203 1 0.500043 0.499694 0.999776 1 Si Si204 1 0.500295 0.499727 0.333014 1 Si Si205 1 0.500169 0.499687 0.666433 1 Si Si206 1 0.499968 0.832882 0.999825 1 Si Si207 1 0.500106 0.833161 0.333003 1 Si Si208 1 0.500203 0.833104 0.666440 1 Si Si209 1 0.830692 0.163841 0.997074 1 Si Si210 1 0.833120 0.166036 0.333554 1 Si Si211 1 0.833613 0.166499 0.666662 1 Si Si212 1 0.833135 0.500223 0.999486 1 Si Si213 1 0.831809 0.500721 0.333979 1 Si Si214 1 0.833562 0.499701 0.666258 1 Si Si215 1 0.833593 0.833297 0.999779 1 Si Si216 1 0.833543 0.832962 0.333013 1 Si Si217 1 0.833623 0.832906 0.666239 1