# generated using pymatgen data_Si215N _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 Si215N _chemical_formula_sum 'Si215 N1' _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 0.416448 1 Si Si2 1 0.250000 0.250000 0.750152 1 Si Si3 1 0.249998 0.583155 0.083333 1 Si Si4 1 0.250105 0.581452 0.414773 1 Si Si5 1 0.249885 0.581417 0.751889 1 Si Si6 1 0.250002 0.916845 0.083333 1 Si Si7 1 0.249895 0.918548 0.414773 1 Si Si8 1 0.250115 0.918583 0.751889 1 Si Si9 1 0.583155 0.249998 0.083333 1 Si Si10 1 0.581452 0.250105 0.414773 1 Si Si11 1 0.581417 0.249885 0.751889 1 Si Si12 1 0.581438 0.581438 0.083445 1 Si Si13 1 0.583530 0.583530 0.416858 1 Si Si14 1 0.583191 0.583191 0.750129 1 Si Si15 1 0.581434 0.918566 0.083222 1 Si Si16 1 0.583214 0.916786 0.416522 1 Si Si17 1 0.583512 0.916488 0.749819 1 Si Si18 1 0.916845 0.250002 0.083333 1 Si Si19 1 0.918548 0.249895 0.414773 1 Si Si20 1 0.918583 0.250115 0.751889 1 Si Si21 1 0.918566 0.581434 0.083222 1 Si Si22 1 0.916786 0.583214 0.416522 1 Si Si23 1 0.916488 0.583512 0.749819 1 Si Si24 1 0.918562 0.918562 0.083445 1 Si Si25 1 0.916470 0.916470 0.416858 1 Si Si26 1 0.916809 0.916809 0.750129 1 Si Si27 1 0.003167 0.003167 0.000029 1 Si Si28 1 0.999769 0.999769 0.333542 1 Si Si29 1 0.000269 0.000269 0.667019 1 Si Si30 1 0.999707 0.333573 0.999756 1 Si Si31 1 0.003157 0.333304 0.330159 1 Si Si32 1 0.000189 0.333213 0.666715 1 Si Si33 1 0.000163 0.666571 0.000087 1 Si Si34 1 0.000275 0.666309 0.333082 1 Si Si35 1 0.000209 0.666746 0.666595 1 Si Si36 1 0.333573 0.999707 0.999756 1 Si Si37 1 0.333304 0.003157 0.330159 1 Si Si38 1 0.333213 0.000189 0.666715 1 Si Si39 1 0.321802 0.321802 0.011528 1 Si Si40 1 0.333579 0.333579 0.333613 1 Si Si41 1 0.333218 0.333218 0.666679 1 Si Si42 1 0.333205 0.666586 0.000088 1 Si Si43 1 0.333226 0.666589 0.333155 1 Si Si44 1 0.333104 0.665751 0.667595 1 Si Si45 1 0.666571 0.000163 0.000087 1 Si Si46 1 0.666309 0.000275 0.333082 1 Si Si47 1 0.666746 0.000209 0.666595 1 Si Si48 1 0.666586 0.333205 0.000088 1 Si Si49 1 0.666589 0.333226 0.333155 1 Si Si50 1 0.665751 0.333104 0.667595 1 Si Si51 1 0.665791 0.665791 0.000300 1 Si Si52 1 0.666762 0.666762 0.333142 1 Si Si53 1 0.666654 0.666654 0.666788 1 Si Si54 1 0.248298 0.087766 0.245559 1 Si Si55 1 0.249996 0.083492 0.583268 1 Si Si56 1 0.251704 0.087775 0.921099 1 Si Si57 1 0.251702 0.412234 0.245559 1 Si Si58 1 0.250004 0.416508 0.583268 1 Si Si59 1 0.248296 0.412225 0.921099 1 Si Si60 1 0.250000 0.750000 0.249821 1 Si Si61 1 0.250000 0.750000 0.583437 1 Si Si62 1 0.250000 0.750000 0.916816 1 Si Si63 1 0.582699 0.083800 0.249527 1 Si Si64 1 0.583188 0.083589 0.583137 1 Si Si65 1 0.583514 0.083049 0.916368 1 Si Si66 1 0.583529 0.416958 0.250276 1 Si Si67 1 0.583195 0.416422 0.583515 1 Si Si68 1 0.582680 0.416205 0.917116 1 Si Si69 1 0.583174 0.750186 0.249758 1 Si Si70 1 0.583281 0.750000 0.583422 1 Si Si71 1 0.583206 0.749802 0.916946 1 Si Si72 1 0.916471 0.083042 0.250276 1 Si Si73 1 0.916805 0.083578 0.583515 1 Si Si74 1 0.917320 0.083795 0.917116 1 Si Si75 1 0.917301 0.416200 0.249527 1 Si Si76 1 0.916812 0.416411 0.583137 1 Si Si77 1 0.916486 0.416951 0.916368 1 Si Si78 1 0.916826 0.749814 0.249758 1 Si Si79 1 0.916719 0.750000 0.583422 1 Si Si80 1 0.916794 0.750198 0.916946 1 Si Si81 1 0.999706 0.166423 0.166905 1 Si Si82 1 0.000158 0.166761 0.499891 1 Si Si83 1 0.003178 0.166694 0.836495 1 Si Si84 1 0.003170 0.496830 0.166635 1 Si Si85 1 0.000251 0.499749 0.499624 1 Si Si86 1 0.999791 0.500209 0.833108 1 Si Si87 1 0.000189 0.833400 0.166531 1 Si Si88 1 0.000180 0.833237 0.500107 1 Si Si89 1 0.000248 0.833700 0.833606 1 Si Si90 1 0.321805 0.178195 0.155136 1 Si Si91 1 0.333220 0.166780 0.499881 1 Si Si92 1 0.333574 0.166426 0.833027 1 Si Si93 1 0.333577 0.500294 0.166905 1 Si Si94 1 0.333239 0.499842 0.499891 1 Si Si95 1 0.333306 0.496822 0.836495 1 Si Si96 1 0.333234 0.833382 0.166525 1 Si Si97 1 0.333061 0.834212 0.499140 1 Si Si98 1 0.333223 0.833419 0.833503 1 Si Si99 1 0.666618 0.166766 0.166525 1 Si Si100 1 0.665788 0.166939 0.499140 1 Si Si101 1 0.666581 0.166777 0.833503 1 Si Si102 1 0.666600 0.499811 0.166531 1 Si Si103 1 0.666763 0.499820 0.500107 1 Si Si104 1 0.666300 0.499752 0.833606 1 Si Si105 1 0.665750 0.834250 0.166457 1 Si Si106 1 0.666620 0.833380 0.499990 1 Si Si107 1 0.666718 0.833282 0.833592 1 Si Si108 1 0.087766 0.248298 0.245559 1 Si Si109 1 0.083492 0.249996 0.583268 1 Si Si110 1 0.087775 0.251704 0.921099 1 Si Si111 1 0.083800 0.582699 0.249527 1 Si Si112 1 0.083589 0.583188 0.583137 1 Si Si113 1 0.083049 0.583514 0.916368 1 Si Si114 1 0.083042 0.916471 0.250276 1 Si Si115 1 0.083578 0.916805 0.583515 1 Si Si116 1 0.083795 0.917320 0.917116 1 Si Si117 1 0.412234 0.251702 0.245559 1 Si Si118 1 0.416508 0.250004 0.583268 1 Si Si119 1 0.412225 0.248296 0.921099 1 Si Si120 1 0.416958 0.583529 0.250276 1 Si Si121 1 0.416422 0.583195 0.583515 1 Si Si122 1 0.416205 0.582680 0.917116 1 Si Si123 1 0.416200 0.917301 0.249527 1 Si Si124 1 0.416411 0.916812 0.583137 1 Si Si125 1 0.416951 0.916486 0.916368 1 Si Si126 1 0.750000 0.250000 0.249821 1 Si Si127 1 0.750000 0.250000 0.583437 1 Si Si128 1 0.750000 0.250000 0.916816 1 Si Si129 1 0.750186 0.583174 0.249758 1 Si Si130 1 0.750000 0.583281 0.583422 1 Si Si131 1 0.749802 0.583206 0.916946 1 Si Si132 1 0.749814 0.916826 0.249758 1 Si Si133 1 0.750000 0.916719 0.583422 1 Si Si134 1 0.750198 0.916794 0.916946 1 Si Si135 1 0.166423 0.999706 0.166905 1 Si Si136 1 0.166761 0.000158 0.499891 1 Si Si137 1 0.166694 0.003178 0.836495 1 Si Si138 1 0.178195 0.321805 0.155136 1 Si Si139 1 0.166780 0.333220 0.499881 1 Si Si140 1 0.166426 0.333574 0.833027 1 Si Si141 1 0.166766 0.666618 0.166525 1 Si Si142 1 0.166939 0.665788 0.499140 1 Si Si143 1 0.166777 0.666581 0.833503 1 Si Si144 1 0.496830 0.003170 0.166635 1 Si Si145 1 0.499749 0.000251 0.499624 1 Si Si146 1 0.500209 0.999791 0.833108 1 Si Si147 1 0.500294 0.333577 0.166905 1 Si Si148 1 0.499842 0.333239 0.499891 1 Si Si149 1 0.496822 0.333306 0.836495 1 Si Si150 1 0.499811 0.666600 0.166531 1 Si Si151 1 0.499820 0.666763 0.500107 1 Si Si152 1 0.499752 0.666300 0.833606 1 Si Si153 1 0.833400 0.000189 0.166531 1 Si Si154 1 0.833237 0.000180 0.500107 1 Si Si155 1 0.833700 0.000248 0.833606 1 Si Si156 1 0.833382 0.333234 0.166525 1 Si Si157 1 0.834212 0.333061 0.499140 1 Si Si158 1 0.833419 0.333223 0.833503 1 Si Si159 1 0.834250 0.665750 0.166457 1 Si Si160 1 0.833380 0.666620 0.499990 1 Si Si161 1 0.833282 0.666718 0.833592 1 Si Si162 1 0.087770 0.087770 0.085031 1 Si Si163 1 0.083041 0.083041 0.416834 1 Si Si164 1 0.083809 0.083809 0.750618 1 Si Si165 1 0.087770 0.412230 0.081625 1 Si Si166 1 0.083785 0.416215 0.415994 1 Si Si167 1 0.083051 0.416949 0.749784 1 Si Si168 1 0.083500 0.749997 0.083268 1 Si Si169 1 0.083593 0.749810 0.416556 1 Si Si170 1 0.083572 0.750194 0.750158 1 Si Si171 1 0.412230 0.087770 0.081625 1 Si Si172 1 0.416215 0.083785 0.415994 1 Si Si173 1 0.416949 0.083051 0.749784 1 Si Si174 1 0.412230 0.412230 0.085031 1 Si Si175 1 0.416959 0.416959 0.416834 1 Si Si176 1 0.416191 0.416191 0.750618 1 Si Si177 1 0.416500 0.750003 0.083268 1 Si Si178 1 0.416407 0.750190 0.416556 1 Si Si179 1 0.416428 0.749806 0.750158 1 Si Si180 1 0.749997 0.083500 0.083268 1 Si Si181 1 0.749810 0.083593 0.416556 1 Si Si182 1 0.750194 0.083572 0.750158 1 Si Si183 1 0.750003 0.416500 0.083268 1 Si Si184 1 0.750190 0.416407 0.416556 1 Si Si185 1 0.749806 0.416428 0.750158 1 Si Si186 1 0.750000 0.750000 0.083447 1 Si Si187 1 0.750000 0.750000 0.416667 1 Si Si188 1 0.750000 0.750000 0.750253 1 Si Si189 1 0.178198 0.178198 0.011528 1 Si Si190 1 0.166421 0.166421 0.333613 1 Si Si191 1 0.166782 0.166782 0.666679 1 Si Si192 1 0.166427 0.500293 0.999756 1 Si Si193 1 0.166696 0.496843 0.330159 1 Si Si194 1 0.166787 0.499811 0.666715 1 Si Si195 1 0.166795 0.833414 0.000088 1 Si Si196 1 0.166774 0.833411 0.333155 1 Si Si197 1 0.166896 0.834249 0.667595 1 Si Si198 1 0.500293 0.166427 0.999756 1 Si Si199 1 0.496843 0.166696 0.330159 1 Si Si200 1 0.499811 0.166787 0.666715 1 Si Si201 1 0.496833 0.496833 0.000029 1 Si Si202 1 0.500231 0.500231 0.333542 1 Si Si203 1 0.499731 0.499731 0.667019 1 Si Si204 1 0.499837 0.833429 0.000087 1 Si Si205 1 0.499725 0.833691 0.333082 1 Si Si206 1 0.499791 0.833254 0.666595 1 Si Si207 1 0.833414 0.166795 0.000088 1 Si Si208 1 0.833411 0.166774 0.333155 1 Si Si209 1 0.834249 0.166896 0.667595 1 Si Si210 1 0.833429 0.499837 0.000087 1 Si Si211 1 0.833691 0.499725 0.333082 1 Si Si212 1 0.833254 0.499791 0.666595 1 Si Si213 1 0.834209 0.834209 0.000300 1 Si Si214 1 0.833238 0.833238 0.333142 1 Si Si215 1 0.833346 0.833346 0.666788 1 N N216 1 0.250000 0.250000 0.083336 1