# generated using pymatgen data_Si215Ru _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 Si215Ru _chemical_formula_sum 'Si215 Ru1' _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 0.250000 0.250000 0.416808 1 Si Si2 1 0.250000 0.250000 0.749858 1 Si Si3 1 0.250000 0.583475 0.083342 1 Si Si4 1 0.250224 0.583460 0.416793 1 Si Si5 1 0.249776 0.583460 0.749873 1 Si Si6 1 0.250000 0.916525 0.083342 1 Si Si7 1 0.249776 0.916540 0.416793 1 Si Si8 1 0.250224 0.916540 0.749873 1 Si Si9 1 0.583475 0.250000 0.083342 1 Si Si10 1 0.583460 0.250224 0.416793 1 Si Si11 1 0.583460 0.249776 0.749873 1 Si Si12 1 0.583460 0.583460 0.083557 1 Si Si13 1 0.583442 0.583442 0.416776 1 Si Si14 1 0.583435 0.583435 0.749900 1 Si Si15 1 0.583460 0.916540 0.083109 1 Si Si16 1 0.583435 0.916565 0.416767 1 Si Si17 1 0.583442 0.916558 0.749891 1 Si Si18 1 0.916526 0.250000 0.083342 1 Si Si19 1 0.916540 0.249776 0.416793 1 Si Si20 1 0.916540 0.250224 0.749873 1 Si Si21 1 0.916540 0.583460 0.083109 1 Si Si22 1 0.916565 0.583435 0.416767 1 Si Si23 1 0.916558 0.583442 0.749891 1 Si Si24 1 0.916540 0.916540 0.083557 1 Si Si25 1 0.916558 0.916558 0.416776 1 Si Si26 1 0.916565 0.916565 0.749900 1 Si Si27 1 -0.000060 -0.000060 -0.000122 1 Si Si28 1 -0.000077 -0.000077 0.333411 1 Si Si29 1 -0.000139 -0.000139 0.666595 1 Si Si30 1 -0.000176 0.333414 -0.000081 1 Si Si31 1 -0.000060 0.333454 0.333393 1 Si Si32 1 -0.000131 0.333464 0.666566 1 Si Si33 1 -0.000129 0.666765 -0.000132 1 Si Si34 1 -0.000139 0.666738 0.333472 1 Si Si35 1 -0.000139 0.666744 0.666588 1 Si Si36 1 0.333414 -0.000176 -0.000081 1 Si Si37 1 0.333454 -0.000060 0.333393 1 Si Si38 1 0.333464 -0.000131 0.666566 1 Si Si39 1 0.331754 0.331754 0.001579 1 Si Si40 1 0.333416 0.333416 0.333508 1 Si Si41 1 0.333382 0.333382 0.666565 1 Si Si42 1 0.333380 0.666766 -0.000047 1 Si Si43 1 0.333463 0.666767 0.333464 1 Si Si44 1 0.333511 0.666730 0.666603 1 Si Si45 1 0.666765 -0.000129 -0.000132 1 Si Si46 1 0.666738 -0.000139 0.333472 1 Si Si47 1 0.666744 -0.000139 0.666588 1 Si Si48 1 0.666766 0.333380 -0.000047 1 Si Si49 1 0.666767 0.333463 0.333464 1 Si Si50 1 0.666730 0.333511 0.666603 1 Si Si51 1 0.666730 0.666730 -0.000178 1 Si Si52 1 0.666745 0.666745 0.333473 1 Si Si53 1 0.666745 0.666745 0.666589 1 Si Si54 1 0.249641 0.083652 0.249682 1 Si Si55 1 0.250000 0.083152 0.583333 1 Si Si56 1 0.250359 0.083651 0.916985 1 Si Si57 1 0.250359 0.416348 0.249682 1 Si Si58 1 0.250000 0.416848 0.583333 1 Si Si59 1 0.249641 0.416349 0.916985 1 Si Si60 1 0.250000 0.750000 0.250181 1 Si Si61 1 0.250000 0.750000 0.583333 1 Si Si62 1 0.250000 0.750000 0.916486 1 Si Si63 1 0.583423 0.083261 0.250072 1 Si Si64 1 0.583474 0.083168 0.583324 1 Si Si65 1 0.583485 0.083211 0.916542 1 Si Si66 1 0.583485 0.416790 0.250124 1 Si Si67 1 0.583475 0.416832 0.583339 1 Si Si68 1 0.583423 0.416738 0.916595 1 Si Si69 1 0.583475 0.750006 0.250164 1 Si Si70 1 0.583485 0.750000 0.583334 1 Si Si71 1 0.583475 0.749994 0.916501 1 Si Si72 1 0.916515 0.083210 0.250124 1 Si Si73 1 0.916525 0.083168 0.583339 1 Si Si74 1 0.916577 0.083262 0.916595 1 Si Si75 1 0.916577 0.416739 0.250072 1 Si Si76 1 0.916526 0.416832 0.583324 1 Si Si77 1 0.916515 0.416789 0.916542 1 Si Si78 1 0.916525 0.749994 0.250164 1 Si Si79 1 0.916515 0.750000 0.583334 1 Si Si80 1 0.916525 0.750006 0.916501 1 Si Si81 1 -0.000173 0.166582 0.166751 1 Si Si82 1 -0.000130 0.166536 0.500099 1 Si Si83 1 -0.000060 0.166546 0.833273 1 Si Si84 1 -0.000060 0.500060 0.166787 1 Si Si85 1 -0.000139 0.500139 0.500070 1 Si Si86 1 -0.000077 0.500077 0.833255 1 Si Si87 1 -0.000129 0.833234 0.166797 1 Si Si88 1 -0.000140 0.833255 0.500078 1 Si Si89 1 -0.000138 0.833262 0.833195 1 Si Si90 1 0.331754 0.168246 0.165087 1 Si Si91 1 0.333382 0.166618 0.500101 1 Si Si92 1 0.333416 0.166584 0.833159 1 Si Si93 1 0.333418 0.500173 0.166751 1 Si Si94 1 0.333464 0.500130 0.500099 1 Si Si95 1 0.333454 0.500060 0.833273 1 Si Si96 1 0.333384 0.833230 0.166717 1 Si Si97 1 0.333510 0.833270 0.500063 1 Si Si98 1 0.333463 0.833233 0.833202 1 Si Si99 1 0.666770 0.166616 0.166717 1 Si Si100 1 0.666730 0.166490 0.500063 1 Si Si101 1 0.666767 0.166537 0.833202 1 Si Si102 1 0.666766 0.500129 0.166797 1 Si Si103 1 0.666745 0.500140 0.500078 1 Si Si104 1 0.666738 0.500138 0.833195 1 Si Si105 1 0.666730 0.833270 0.166843 1 Si Si106 1 0.666745 0.833255 0.500078 1 Si Si107 1 0.666745 0.833255 0.833193 1 Si Si108 1 0.083652 0.249641 0.249682 1 Si Si109 1 0.083152 0.250000 0.583333 1 Si Si110 1 0.083651 0.250359 0.916985 1 Si Si111 1 0.083261 0.583423 0.250072 1 Si Si112 1 0.083168 0.583474 0.583324 1 Si Si113 1 0.083211 0.583485 0.916542 1 Si Si114 1 0.083210 0.916515 0.250124 1 Si Si115 1 0.083168 0.916525 0.583339 1 Si Si116 1 0.083262 0.916577 0.916595 1 Si Si117 1 0.416348 0.250359 0.249682 1 Si Si118 1 0.416848 0.250000 0.583333 1 Si Si119 1 0.416349 0.249641 0.916985 1 Si Si120 1 0.416790 0.583485 0.250124 1 Si Si121 1 0.416832 0.583475 0.583339 1 Si Si122 1 0.416738 0.583423 0.916595 1 Si Si123 1 0.416739 0.916577 0.250072 1 Si Si124 1 0.416832 0.916526 0.583324 1 Si Si125 1 0.416789 0.916515 0.916542 1 Si Si126 1 0.750000 0.250000 0.250181 1 Si Si127 1 0.750000 0.250000 0.583333 1 Si Si128 1 0.750000 0.250000 0.916486 1 Si Si129 1 0.750006 0.583475 0.250164 1 Si Si130 1 0.750000 0.583485 0.583334 1 Si Si131 1 0.749994 0.583475 0.916501 1 Si Si132 1 0.749994 0.916525 0.250164 1 Si Si133 1 0.750000 0.916515 0.583334 1 Si Si134 1 0.750006 0.916525 0.916501 1 Si Si135 1 0.166582 -0.000173 0.166751 1 Si Si136 1 0.166536 -0.000130 0.500099 1 Si Si137 1 0.166546 -0.000060 0.833273 1 Si Si138 1 0.168246 0.331754 0.165087 1 Si Si139 1 0.166618 0.333382 0.500101 1 Si Si140 1 0.166584 0.333416 0.833159 1 Si Si141 1 0.166616 0.666770 0.166717 1 Si Si142 1 0.166490 0.666730 0.500063 1 Si Si143 1 0.166537 0.666767 0.833202 1 Si Si144 1 0.500060 -0.000060 0.166787 1 Si Si145 1 0.500139 -0.000139 0.500070 1 Si Si146 1 0.500077 -0.000077 0.833255 1 Si Si147 1 0.500173 0.333418 0.166751 1 Si Si148 1 0.500130 0.333464 0.500099 1 Si Si149 1 0.500060 0.333454 0.833273 1 Si Si150 1 0.500129 0.666766 0.166797 1 Si Si151 1 0.500140 0.666745 0.500078 1 Si Si152 1 0.500138 0.666738 0.833195 1 Si Si153 1 0.833234 -0.000129 0.166797 1 Si Si154 1 0.833255 -0.000140 0.500078 1 Si Si155 1 0.833262 -0.000138 0.833195 1 Si Si156 1 0.833230 0.333384 0.166717 1 Si Si157 1 0.833270 0.333510 0.500063 1 Si Si158 1 0.833233 0.333463 0.833202 1 Si Si159 1 0.833270 0.666730 0.166843 1 Si Si160 1 0.833255 0.666745 0.500078 1 Si Si161 1 0.833255 0.666745 0.833193 1 Si Si162 1 0.083651 0.083651 0.083692 1 Si Si163 1 0.083210 0.083210 0.416818 1 Si Si164 1 0.083261 0.083261 0.749910 1 Si Si165 1 0.083651 0.416349 0.082973 1 Si Si166 1 0.083261 0.416739 0.416756 1 Si Si167 1 0.083210 0.416790 0.749847 1 Si Si168 1 0.083152 0.750000 0.083333 1 Si Si169 1 0.083168 0.749994 0.416808 1 Si Si170 1 0.083168 0.750006 0.749858 1 Si Si171 1 0.416349 0.083651 0.082973 1 Si Si172 1 0.416739 0.083261 0.416756 1 Si Si173 1 0.416790 0.083210 0.749847 1 Si Si174 1 0.416349 0.416349 0.083692 1 Si Si175 1 0.416790 0.416790 0.416818 1 Si Si176 1 0.416739 0.416739 0.749910 1 Si Si177 1 0.416848 0.750000 0.083333 1 Si Si178 1 0.416832 0.750006 0.416808 1 Si Si179 1 0.416832 0.749994 0.749858 1 Si Si180 1 0.750000 0.083152 0.083333 1 Si Si181 1 0.749994 0.083168 0.416808 1 Si Si182 1 0.750006 0.083168 0.749858 1 Si Si183 1 0.750000 0.416848 0.083333 1 Si Si184 1 0.750006 0.416832 0.416808 1 Si Si185 1 0.749994 0.416832 0.749858 1 Si Si186 1 0.750000 0.750000 0.083333 1 Si Si187 1 0.750000 0.750000 0.416819 1 Si Si188 1 0.750000 0.750000 0.749849 1 Si Si189 1 0.168246 0.168246 0.001579 1 Si Si190 1 0.166584 0.166584 0.333508 1 Si Si191 1 0.166618 0.166618 0.666565 1 Si Si192 1 0.166586 0.500176 -0.000081 1 Si Si193 1 0.166546 0.500060 0.333393 1 Si Si194 1 0.166536 0.500131 0.666566 1 Si Si195 1 0.166620 0.833234 -0.000047 1 Si Si196 1 0.166537 0.833233 0.333464 1 Si Si197 1 0.166489 0.833270 0.666603 1 Si Si198 1 0.500176 0.166586 -0.000081 1 Si Si199 1 0.500060 0.166546 0.333393 1 Si Si200 1 0.500131 0.166536 0.666566 1 Si Si201 1 0.500060 0.500060 -0.000122 1 Si Si202 1 0.500077 0.500077 0.333411 1 Si Si203 1 0.500139 0.500139 0.666595 1 Si Si204 1 0.500129 0.833235 -0.000132 1 Si Si205 1 0.500139 0.833262 0.333472 1 Si Si206 1 0.500139 0.833256 0.666588 1 Si Si207 1 0.833234 0.166620 -0.000047 1 Si Si208 1 0.833233 0.166537 0.333464 1 Si Si209 1 0.833270 0.166489 0.666603 1 Si Si210 1 0.833235 0.500129 -0.000132 1 Si Si211 1 0.833262 0.500139 0.333472 1 Si Si212 1 0.833256 0.500139 0.666588 1 Si Si213 1 0.833270 0.833270 -0.000178 1 Si Si214 1 0.833255 0.833255 0.333473 1 Si Si215 1 0.833255 0.833255 0.666589 1 Ru Ru216 1 0.250000 0.250000 0.083333 1