# generated using pymatgen data_VSi215 _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 VSi215 _chemical_formula_sum 'V1 Si215' _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 0.250000 0.250000 0.083332 1 Si Si2 1 0.250000 0.250000 0.416434 1 Si Si3 1 0.250000 0.250000 0.750244 1 Si Si4 1 0.250002 0.583097 0.083330 1 Si Si5 1 0.250054 0.583904 0.417240 1 Si Si6 1 0.249946 0.583907 0.749427 1 Si Si7 1 0.249998 0.916903 0.083330 1 Si Si8 1 0.249946 0.916096 0.417240 1 Si Si9 1 0.250054 0.916093 0.749427 1 Si Si10 1 0.583097 0.250002 0.083330 1 Si Si11 1 0.583904 0.250054 0.417240 1 Si Si12 1 0.583907 0.249946 0.749427 1 Si Si13 1 0.583906 0.583906 0.083386 1 Si Si14 1 0.583160 0.583160 0.416491 1 Si Si15 1 0.583199 0.583199 0.750133 1 Si Si16 1 0.583906 0.916094 0.083277 1 Si Si17 1 0.583199 0.916801 0.416531 1 Si Si18 1 0.583159 0.916841 0.750172 1 Si Si19 1 0.916903 0.249998 0.083330 1 Si Si20 1 0.916096 0.249946 0.417240 1 Si Si21 1 0.916093 0.250054 0.749427 1 Si Si22 1 0.916094 0.583906 0.083277 1 Si Si23 1 0.916801 0.583199 0.416531 1 Si Si24 1 0.916841 0.583159 0.750172 1 Si Si25 1 0.916094 0.916094 0.083385 1 Si Si26 1 0.916840 0.916840 0.416491 1 Si Si27 1 0.916801 0.916801 0.750133 1 Si Si28 1 0.999262 0.999262 0.000443 1 Si Si29 1 0.000179 0.000179 0.333157 1 Si Si30 1 0.000129 0.000129 0.666812 1 Si Si31 1 0.000301 0.333231 0.000101 1 Si Si32 1 0.999264 0.332888 0.334072 1 Si Si33 1 0.999998 0.333365 0.666696 1 Si Si34 1 0.000004 0.666643 0.999976 1 Si Si35 1 0.000129 0.666519 0.333204 1 Si Si36 1 0.000095 0.666593 0.666738 1 Si Si37 1 0.333231 0.000301 0.000101 1 Si Si38 1 0.332888 0.999264 0.334072 1 Si Si39 1 0.333365 0.999998 0.666696 1 Si Si40 1 0.335494 0.335494 0.997838 1 Si Si41 1 0.333230 0.333230 0.333033 1 Si Si42 1 0.333283 0.333283 0.666766 1 Si Si43 1 0.333286 0.666585 0.000053 1 Si Si44 1 0.333363 0.666638 0.333334 1 Si Si45 1 0.333330 0.666937 0.666393 1 Si Si46 1 0.666643 0.000004 0.999976 1 Si Si47 1 0.666519 0.000129 0.333204 1 Si Si48 1 0.666593 0.000095 0.666738 1 Si Si49 1 0.666585 0.333286 0.000053 1 Si Si50 1 0.666638 0.333363 0.333334 1 Si Si51 1 0.666937 0.333330 0.666393 1 Si Si52 1 0.666931 0.666931 0.999995 1 Si Si53 1 0.666594 0.666594 0.333238 1 Si Si54 1 0.666608 0.666608 0.666725 1 Si Si55 1 0.250374 0.082659 0.250673 1 Si Si56 1 0.250000 0.083312 0.583356 1 Si Si57 1 0.249626 0.082659 0.915991 1 Si Si58 1 0.249626 0.417341 0.250673 1 Si Si59 1 0.250000 0.416688 0.583356 1 Si Si60 1 0.250374 0.417341 0.915991 1 Si Si61 1 0.250000 0.750000 0.250028 1 Si Si62 1 0.250000 0.750000 0.583280 1 Si Si63 1 0.250000 0.750000 0.916642 1 Si Si64 1 0.583068 0.083425 0.249909 1 Si Si65 1 0.583235 0.083405 0.583281 1 Si Si66 1 0.583143 0.083569 0.916904 1 Si Si67 1 0.583140 0.416430 0.249764 1 Si Si68 1 0.583233 0.416595 0.583380 1 Si Si69 1 0.583072 0.416574 0.916760 1 Si Si70 1 0.583235 0.750050 0.249928 1 Si Si71 1 0.583195 0.750000 0.583332 1 Si Si72 1 0.583231 0.749952 0.916738 1 Si Si73 1 0.916860 0.083570 0.249764 1 Si Si74 1 0.916767 0.083405 0.583380 1 Si Si75 1 0.916928 0.083426 0.916760 1 Si Si76 1 0.916932 0.416575 0.249909 1 Si Si77 1 0.916765 0.416595 0.583281 1 Si Si78 1 0.916857 0.416431 0.916904 1 Si Si79 1 0.916765 0.749950 0.249928 1 Si Si80 1 0.916805 0.750000 0.583332 1 Si Si81 1 0.916769 0.750048 0.916738 1 Si Si82 1 0.000302 0.166770 0.166562 1 Si Si83 1 0.000004 0.166641 0.499977 1 Si Si84 1 0.999260 0.167112 0.832596 1 Si Si85 1 0.999262 0.500738 0.166219 1 Si Si86 1 0.000129 0.499871 0.499849 1 Si Si87 1 0.000176 0.499824 0.833512 1 Si Si88 1 0.999998 0.833363 0.166698 1 Si Si89 1 0.000094 0.833407 0.499926 1 Si Si90 1 0.000129 0.833481 0.833461 1 Si Si91 1 0.335494 0.164506 0.168826 1 Si Si92 1 0.333284 0.166716 0.499925 1 Si Si93 1 0.333232 0.166768 0.833636 1 Si Si94 1 0.333230 0.499698 0.166562 1 Si Si95 1 0.333359 0.499996 0.499977 1 Si Si96 1 0.332888 0.500740 0.832596 1 Si Si97 1 0.333278 0.833425 0.166622 1 Si Si98 1 0.333334 0.833071 0.500259 1 Si Si99 1 0.333362 0.833361 0.833333 1 Si Si100 1 0.666575 0.166722 0.166622 1 Si Si101 1 0.666929 0.166666 0.500259 1 Si Si102 1 0.666639 0.166638 0.833333 1 Si Si103 1 0.666637 0.500002 0.166698 1 Si Si104 1 0.666593 0.499906 0.499926 1 Si Si105 1 0.666519 0.499871 0.833461 1 Si Si106 1 0.666934 0.833066 0.166659 1 Si Si107 1 0.666608 0.833392 0.499940 1 Si Si108 1 0.666593 0.833407 0.833429 1 Si Si109 1 0.082659 0.250374 0.250673 1 Si Si110 1 0.083312 0.250000 0.583356 1 Si Si111 1 0.082659 0.249626 0.915991 1 Si Si112 1 0.083425 0.583068 0.249909 1 Si Si113 1 0.083405 0.583235 0.583281 1 Si Si114 1 0.083569 0.583143 0.916904 1 Si Si115 1 0.083570 0.916860 0.249764 1 Si Si116 1 0.083405 0.916767 0.583380 1 Si Si117 1 0.083426 0.916928 0.916760 1 Si Si118 1 0.417341 0.249626 0.250673 1 Si Si119 1 0.416688 0.250000 0.583356 1 Si Si120 1 0.417341 0.250374 0.915991 1 Si Si121 1 0.416430 0.583140 0.249764 1 Si Si122 1 0.416595 0.583233 0.583380 1 Si Si123 1 0.416574 0.583072 0.916760 1 Si Si124 1 0.416575 0.916932 0.249909 1 Si Si125 1 0.416595 0.916765 0.583281 1 Si Si126 1 0.416431 0.916857 0.916904 1 Si Si127 1 0.750000 0.250000 0.250028 1 Si Si128 1 0.750000 0.250000 0.583280 1 Si Si129 1 0.750000 0.250000 0.916642 1 Si Si130 1 0.750050 0.583235 0.249928 1 Si Si131 1 0.750000 0.583195 0.583332 1 Si Si132 1 0.749952 0.583231 0.916738 1 Si Si133 1 0.749950 0.916765 0.249928 1 Si Si134 1 0.750000 0.916805 0.583332 1 Si Si135 1 0.750048 0.916769 0.916738 1 Si Si136 1 0.166770 0.000302 0.166562 1 Si Si137 1 0.166641 0.000004 0.499977 1 Si Si138 1 0.167112 0.999260 0.832596 1 Si Si139 1 0.164506 0.335494 0.168826 1 Si Si140 1 0.166716 0.333284 0.499925 1 Si Si141 1 0.166768 0.333232 0.833636 1 Si Si142 1 0.166722 0.666575 0.166622 1 Si Si143 1 0.166666 0.666929 0.500259 1 Si Si144 1 0.166638 0.666639 0.833333 1 Si Si145 1 0.500738 0.999262 0.166219 1 Si Si146 1 0.499871 0.000129 0.499849 1 Si Si147 1 0.499824 0.000176 0.833512 1 Si Si148 1 0.499698 0.333230 0.166562 1 Si Si149 1 0.499996 0.333359 0.499977 1 Si Si150 1 0.500740 0.332888 0.832596 1 Si Si151 1 0.500002 0.666637 0.166698 1 Si Si152 1 0.499906 0.666593 0.499926 1 Si Si153 1 0.499871 0.666519 0.833461 1 Si Si154 1 0.833363 0.999998 0.166698 1 Si Si155 1 0.833407 0.000094 0.499926 1 Si Si156 1 0.833481 0.000129 0.833461 1 Si Si157 1 0.833425 0.333278 0.166622 1 Si Si158 1 0.833071 0.333334 0.500259 1 Si Si159 1 0.833361 0.333362 0.833333 1 Si Si160 1 0.833066 0.666934 0.166659 1 Si Si161 1 0.833392 0.666608 0.499940 1 Si Si162 1 0.833407 0.666593 0.833429 1 Si Si163 1 0.082659 0.082659 0.082959 1 Si Si164 1 0.083571 0.083571 0.416477 1 Si Si165 1 0.083423 0.083423 0.750267 1 Si Si166 1 0.082659 0.417341 0.083706 1 Si Si167 1 0.083431 0.416569 0.416408 1 Si Si168 1 0.083568 0.416432 0.750194 1 Si Si169 1 0.083314 0.749999 0.083360 1 Si Si170 1 0.083404 0.749952 0.416565 1 Si Si171 1 0.083405 0.750050 0.750097 1 Si Si172 1 0.417341 0.082659 0.083706 1 Si Si173 1 0.416569 0.083431 0.416408 1 Si Si174 1 0.416432 0.083568 0.750194 1 Si Si175 1 0.417341 0.417341 0.082959 1 Si Si176 1 0.416429 0.416429 0.416477 1 Si Si177 1 0.416577 0.416577 0.750267 1 Si Si178 1 0.416686 0.750001 0.083360 1 Si Si179 1 0.416596 0.750048 0.416565 1 Si Si180 1 0.416595 0.749950 0.750097 1 Si Si181 1 0.749999 0.083314 0.083360 1 Si Si182 1 0.749952 0.083404 0.416565 1 Si Si183 1 0.750050 0.083405 0.750097 1 Si Si184 1 0.750001 0.416686 0.083360 1 Si Si185 1 0.750048 0.416596 0.416565 1 Si Si186 1 0.749950 0.416595 0.750097 1 Si Si187 1 0.750000 0.750000 0.083279 1 Si Si188 1 0.750000 0.750000 0.416528 1 Si Si189 1 0.750000 0.750000 0.750138 1 Si Si190 1 0.164506 0.164506 0.997837 1 Si Si191 1 0.166770 0.166770 0.333033 1 Si Si192 1 0.166717 0.166717 0.666766 1 Si Si193 1 0.166769 0.499699 0.000101 1 Si Si194 1 0.167112 0.500736 0.334072 1 Si Si195 1 0.166635 0.500002 0.666696 1 Si Si196 1 0.166714 0.833415 0.000053 1 Si Si197 1 0.166637 0.833362 0.333334 1 Si Si198 1 0.166670 0.833063 0.666393 1 Si Si199 1 0.499699 0.166769 0.000101 1 Si Si200 1 0.500736 0.167112 0.334072 1 Si Si201 1 0.500002 0.166635 0.666696 1 Si Si202 1 0.500738 0.500738 0.000443 1 Si Si203 1 0.499821 0.499821 0.333157 1 Si Si204 1 0.499871 0.499871 0.666812 1 Si Si205 1 0.499996 0.833357 0.999976 1 Si Si206 1 0.499871 0.833481 0.333204 1 Si Si207 1 0.499905 0.833407 0.666738 1 Si Si208 1 0.833415 0.166714 0.000053 1 Si Si209 1 0.833362 0.166637 0.333334 1 Si Si210 1 0.833063 0.166670 0.666393 1 Si Si211 1 0.833357 0.499996 0.999976 1 Si Si212 1 0.833481 0.499871 0.333204 1 Si Si213 1 0.833407 0.499905 0.666738 1 Si Si214 1 0.833069 0.833069 0.999995 1 Si Si215 1 0.833406 0.833406 0.333238 1 Si Si216 1 0.833392 0.833392 0.666725 1