# 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 0.166529 0.166800 0.166530 1 Si Si2 1 0.253108 0.253375 0.079932 1 Si Si3 1 0.250680 0.251025 0.416691 1 Si Si4 1 0.249793 0.250188 0.749551 1 Si Si5 1 0.249809 0.583767 0.083208 1 Si Si6 1 0.250090 0.583651 0.416633 1 Si Si7 1 0.249603 0.583618 0.749784 1 Si Si8 1 0.250719 0.916644 0.082335 1 Si Si9 1 0.248842 0.915917 0.417455 1 Si Si10 1 0.250022 0.916726 0.749698 1 Si Si11 1 0.583421 0.250152 0.083113 1 Si Si12 1 0.583256 0.250418 0.416668 1 Si Si13 1 0.583179 0.249981 0.749700 1 Si Si14 1 0.583223 0.583613 0.083357 1 Si Si15 1 0.583252 0.583642 0.416617 1 Si Si16 1 0.583155 0.583579 0.749867 1 Si Si17 1 0.583221 0.916656 0.082942 1 Si Si18 1 0.583266 0.916823 0.416559 1 Si Si19 1 0.583196 0.916761 0.749734 1 Si Si20 1 0.916347 0.251010 0.082299 1 Si Si21 1 0.915547 0.249167 0.417454 1 Si Si22 1 0.916340 0.250379 0.749756 1 Si Si23 1 0.916380 0.583593 0.083020 1 Si Si24 1 0.916412 0.583683 0.416577 1 Si Si25 1 0.916408 0.583616 0.749798 1 Si Si26 1 0.915561 0.915892 0.084242 1 Si Si27 1 0.915858 0.916236 0.417140 1 Si Si28 1 0.916389 0.916853 0.749714 1 Si Si29 1 0.996896 0.997145 0.996920 1 Si Si30 1 0.999043 0.999453 0.333915 1 Si Si31 1 0.999688 0.000121 0.666509 1 Si Si32 1 0.999089 0.334277 0.999072 1 Si Si33 1 0.996916 0.336428 0.336189 1 Si Si34 1 0.999688 0.333642 0.666527 1 Si Si35 1 0.999714 0.666846 0.999773 1 Si Si36 1 0.999720 0.666872 0.333320 1 Si Si37 1 0.999656 0.666854 0.666505 1 Si Si38 1 0.333869 0.999460 0.999064 1 Si Si39 1 0.336129 0.997194 0.336143 1 Si Si40 1 0.333177 0.000100 0.666443 1 Si Si41 1 0.336175 0.336411 0.996935 1 Si Si42 1 0.333902 0.334271 0.333892 1 Si Si43 1 0.333234 0.333631 0.666472 1 Si Si44 1 0.333213 0.666834 0.999707 1 Si Si45 1 0.333242 0.666905 0.333249 1 Si Si46 1 0.333215 0.666840 0.666556 1 Si Si47 1 0.666454 0.000069 0.999743 1 Si Si48 1 0.666408 0.000126 0.333262 1 Si Si49 1 0.666446 0.000055 0.666523 1 Si Si50 1 0.666528 0.333589 0.999719 1 Si Si51 1 0.666506 0.333631 0.333292 1 Si Si52 1 0.666439 0.333634 0.666523 1 Si Si53 1 0.666459 0.666849 0.999770 1 Si Si54 1 0.666514 0.666793 0.333278 1 Si Si55 1 0.666415 0.666925 0.666521 1 Si Si56 1 0.253117 0.080222 0.253112 1 Si Si57 1 0.249720 0.083592 0.583360 1 Si Si58 1 0.250639 0.082660 0.916268 1 Si Si59 1 0.250702 0.417069 0.250682 1 Si Si60 1 0.250028 0.417058 0.583242 1 Si Si61 1 0.248833 0.417699 0.915645 1 Si Si62 1 0.249722 0.749977 0.249807 1 Si Si63 1 0.249635 0.750088 0.583294 1 Si Si64 1 0.250029 0.750135 0.916323 1 Si Si65 1 0.583321 0.083581 0.249777 1 Si Si66 1 0.583199 0.083656 0.583275 1 Si Si67 1 0.583240 0.083259 0.916288 1 Si Si68 1 0.583273 0.417041 0.250071 1 Si Si69 1 0.583196 0.416984 0.583301 1 Si Si70 1 0.583305 0.416864 0.916393 1 Si Si71 1 0.583277 0.750060 0.249675 1 Si Si72 1 0.583061 0.750216 0.583156 1 Si Si73 1 0.583131 0.750061 0.916488 1 Si Si74 1 0.916278 0.082680 0.250700 1 Si Si75 1 0.916251 0.083291 0.583242 1 Si Si76 1 0.915594 0.084460 0.915620 1 Si Si77 1 0.915627 0.417706 0.248865 1 Si Si78 1 0.916401 0.416981 0.583340 1 Si Si79 1 0.915890 0.417465 0.915906 1 Si Si80 1 0.916278 0.750111 0.250129 1 Si Si81 1 0.916316 0.750118 0.583301 1 Si Si82 1 0.916384 0.750028 0.916468 1 Si Si83 1 0.997890 0.166847 0.166504 1 Si Si84 1 0.999843 0.166853 0.500331 1 Si Si85 1 0.999867 0.166777 0.832715 1 Si Si86 1 0.999934 0.500638 0.166606 1 Si Si87 1 0.999478 0.500590 0.500218 1 Si Si88 1 0.999749 0.500365 0.833037 1 Si Si89 1 0.999873 0.833022 0.166561 1 Si Si90 1 0.999661 0.833336 0.500084 1 Si Si91 1 0.999423 0.833155 0.832808 1 Si Si92 1 0.335185 0.166794 0.166527 1 Si Si93 1 0.333094 0.166806 0.500303 1 Si Si94 1 0.333066 0.166883 0.832646 1 Si Si95 1 0.333141 0.500691 0.166464 1 Si Si96 1 0.333301 0.500401 0.500030 1 Si Si97 1 0.333453 0.500516 0.832841 1 Si Si98 1 0.333111 0.833020 0.166588 1 Si Si99 1 0.333494 0.833119 0.500230 1 Si Si100 1 0.333262 0.833376 0.832967 1 Si Si101 1 0.666482 0.166856 0.166485 1 Si Si102 1 0.666464 0.166814 0.499827 1 Si Si103 1 0.666477 0.166857 0.833198 1 Si Si104 1 0.666522 0.500118 0.166475 1 Si Si105 1 0.666480 0.500300 0.499983 1 Si Si106 1 0.666520 0.500272 0.833092 1 Si Si107 1 0.666487 0.833576 0.166559 1 Si Si108 1 0.666457 0.833399 0.499963 1 Si Si109 1 0.666381 0.833413 0.833157 1 Si Si110 1 0.079969 0.253396 0.253070 1 Si Si111 1 0.083078 0.250211 0.583386 1 Si Si112 1 0.082289 0.251026 0.916315 1 Si Si113 1 0.083173 0.583785 0.249864 1 Si Si114 1 0.083316 0.583670 0.583278 1 Si Si115 1 0.082971 0.583612 0.916420 1 Si Si116 1 0.082312 0.916670 0.250753 1 Si Si117 1 0.082897 0.916717 0.583282 1 Si Si118 1 0.084187 0.915880 0.915590 1 Si Si119 1 0.416707 0.251036 0.250698 1 Si Si120 1 0.416630 0.250399 0.583258 1 Si Si121 1 0.417413 0.249107 0.915585 1 Si Si122 1 0.416640 0.583622 0.250117 1 Si Si123 1 0.416531 0.583643 0.583312 1 Si Si124 1 0.416501 0.583616 0.916458 1 Si Si125 1 0.417438 0.915879 0.248886 1 Si Si126 1 0.416474 0.916807 0.583313 1 Si Si127 1 0.417080 0.916232 0.915923 1 Si Si128 1 0.749552 0.250152 0.249840 1 Si Si129 1 0.749659 0.250050 0.583251 1 Si Si130 1 0.749775 0.250344 0.916370 1 Si Si131 1 0.749757 0.583594 0.249644 1 Si Si132 1 0.749755 0.583569 0.583282 1 Si Si133 1 0.749707 0.583564 0.916524 1 Si Si134 1 0.749691 0.916753 0.250125 1 Si Si135 1 0.749662 0.916746 0.583301 1 Si Si136 1 0.749642 0.916812 0.916456 1 Si Si137 1 0.166530 0.998178 0.166528 1 Si Si138 1 0.166507 0.000211 0.500312 1 Si Si139 1 0.166418 0.000222 0.832654 1 Si Si140 1 0.166522 0.335466 0.166500 1 Si Si141 1 0.166456 0.333453 0.500340 1 Si Si142 1 0.166548 0.333430 0.832706 1 Si Si143 1 0.166454 0.666848 0.166485 1 Si Si144 1 0.166524 0.666851 0.499812 1 Si Si145 1 0.166450 0.666886 0.833225 1 Si Si146 1 0.500290 0.000175 0.166544 1 Si Si147 1 0.500160 0.999804 0.500223 1 Si Si148 1 0.499963 0.000032 0.832966 1 Si Si149 1 0.500385 0.333433 0.166482 1 Si Si150 1 0.500025 0.333621 0.500067 1 Si Si151 1 0.500143 0.333823 0.832776 1 Si Si152 1 0.499779 0.666828 0.166550 1 Si Si153 1 0.499882 0.666838 0.499952 1 Si Si154 1 0.499844 0.666838 0.833107 1 Si Si155 1 0.832654 0.000234 0.166500 1 Si Si156 1 0.832893 0.000029 0.500031 1 Si Si157 1 0.832738 0.999862 0.832808 1 Si Si158 1 0.832723 0.333388 0.166571 1 Si Si159 1 0.832768 0.333910 0.500221 1 Si Si160 1 0.832993 0.333603 0.833025 1 Si Si161 1 0.833201 0.666864 0.166518 1 Si Si162 1 0.833006 0.666840 0.499981 1 Si Si163 1 0.833004 0.666788 0.833135 1 Si Si164 1 0.079933 0.080233 0.079939 1 Si Si165 1 0.082287 0.082638 0.416702 1 Si Si166 1 0.083152 0.083552 0.749583 1 Si Si167 1 0.082320 0.417026 0.082331 1 Si Si168 1 0.084190 0.417780 0.417444 1 Si Si169 1 0.082945 0.416982 0.749775 1 Si Si170 1 0.083103 0.749966 0.083206 1 Si Si171 1 0.082905 0.750118 0.416720 1 Si Si172 1 0.083259 0.750108 0.749709 1 Si Si173 1 0.416693 0.082601 0.082314 1 Si Si174 1 0.417409 0.084487 0.417438 1 Si Si175 1 0.416548 0.083234 0.749723 1 Si Si176 1 0.417476 0.417744 0.084211 1 Si Si177 1 0.417110 0.417435 0.417140 1 Si Si178 1 0.416480 0.416918 0.749696 1 Si Si179 1 0.416578 0.750038 0.082974 1 Si Si180 1 0.416519 0.750070 0.416545 1 Si Si181 1 0.416503 0.750087 0.749744 1 Si Si182 1 0.749553 0.083495 0.083203 1 Si Si183 1 0.749675 0.083274 0.416651 1 Si Si184 1 0.749681 0.083701 0.749701 1 Si Si185 1 0.749778 0.416926 0.082976 1 Si Si186 1 0.749677 0.416951 0.416548 1 Si Si187 1 0.749712 0.416891 0.749775 1 Si Si188 1 0.749688 0.750118 0.083369 1 Si Si189 1 0.749664 0.750068 0.416609 1 Si Si190 1 0.749721 0.750179 0.749926 1 Si Si191 1 0.166475 0.166835 0.997847 1 Si Si192 1 0.166516 0.166800 0.335152 1 Si Si193 1 0.166422 0.166905 0.666478 1 Si Si194 1 0.166562 0.500641 0.999932 1 Si Si195 1 0.166474 0.500695 0.333126 1 Si Si196 1 0.166468 0.500151 0.666534 1 Si Si197 1 0.166468 0.833014 0.999952 1 Si Si198 1 0.166520 0.833045 0.333188 1 Si Si199 1 0.166464 0.833548 0.666516 1 Si Si200 1 0.500328 0.166812 0.999888 1 Si Si201 1 0.500289 0.166813 0.333153 1 Si Si202 1 0.499718 0.166788 0.666521 1 Si Si203 1 0.500223 0.500523 0.999469 1 Si Si204 1 0.500020 0.500372 0.333344 1 Si Si205 1 0.499897 0.500310 0.666565 1 Si Si206 1 0.499940 0.833284 0.999777 1 Si Si207 1 0.500235 0.833101 0.333543 1 Si Si208 1 0.499858 0.833422 0.666534 1 Si Si209 1 0.832706 0.166749 0.999934 1 Si Si210 1 0.832634 0.166891 0.333134 1 Si Si211 1 0.833150 0.166882 0.666496 1 Si Si212 1 0.833020 0.500326 0.999791 1 Si Si213 1 0.832835 0.500532 0.333506 1 Si Si214 1 0.833027 0.500305 0.666599 1 Si Si215 1 0.832754 0.833149 0.999511 1 Si Si216 1 0.832902 0.833346 0.333351 1 Si Si217 1 0.832993 0.833420 0.666592 1