# 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 0.415767 1 Si Si2 1 0.250000 0.250000 0.750890 1 Si Si3 1 0.250000 0.582438 0.083328 1 Si Si4 1 0.249799 0.581712 0.415040 1 Si Si5 1 0.250196 0.581694 0.751634 1 Si Si6 1 0.250000 0.917562 0.083328 1 Si Si7 1 0.250201 0.918288 0.415040 1 Si Si8 1 0.249804 0.918306 0.751634 1 Si Si9 1 0.582438 0.250000 0.083328 1 Si Si10 1 0.581712 0.249799 0.415040 1 Si Si11 1 0.581694 0.250196 0.751634 1 Si Si12 1 0.581704 0.581704 0.083128 1 Si Si13 1 0.583191 0.583191 0.416511 1 Si Si14 1 0.583135 0.583135 0.750192 1 Si Si15 1 0.581701 0.918299 0.083524 1 Si Si16 1 0.583136 0.916864 0.416462 1 Si Si17 1 0.583189 0.916811 0.750139 1 Si Si18 1 0.917562 0.250000 0.083328 1 Si Si19 1 0.918288 0.250201 0.415040 1 Si Si20 1 0.918306 0.249804 0.751634 1 Si Si21 1 0.918299 0.581701 0.083524 1 Si Si22 1 0.916864 0.583136 0.416462 1 Si Si23 1 0.916811 0.583189 0.750139 1 Si Si24 1 0.918296 0.918296 0.083128 1 Si Si25 1 0.916809 0.916809 0.416511 1 Si Si26 1 0.916865 0.916865 0.750192 1 Si Si27 1 0.003089 0.003089 0.000463 1 Si Si28 1 0.000168 0.000168 0.333158 1 Si Si29 1 0.000407 0.000407 0.667034 1 Si Si30 1 0.001223 0.333365 0.999964 1 Si Si31 1 0.003085 0.332866 0.330243 1 Si Si32 1 0.000308 0.333174 0.666947 1 Si Si33 1 0.000309 0.666379 0.000155 1 Si Si34 1 0.000418 0.666295 0.332932 1 Si Si35 1 0.000289 0.666639 0.666686 1 Si Si36 1 0.333365 0.001223 0.999964 1 Si Si37 1 0.332866 0.003085 0.330243 1 Si Si38 1 0.333174 0.000308 0.666947 1 Si Si39 1 0.321777 0.321777 0.011552 1 Si Si40 1 0.333365 0.333365 0.332105 1 Si Si41 1 0.333149 0.333149 0.667056 1 Si Si42 1 0.333150 0.666271 0.000179 1 Si Si43 1 0.333171 0.666379 0.333022 1 Si Si44 1 0.332963 0.665909 0.667434 1 Si Si45 1 0.666379 0.000309 0.000155 1 Si Si46 1 0.666295 0.000418 0.332932 1 Si Si47 1 0.666639 0.000289 0.666686 1 Si Si48 1 0.666271 0.333150 0.000179 1 Si Si49 1 0.666379 0.333171 0.333022 1 Si Si50 1 0.665909 0.332963 0.667434 1 Si Si51 1 0.665951 0.665951 0.000423 1 Si Si52 1 0.666643 0.666643 0.333039 1 Si Si53 1 0.666579 0.666579 0.666751 1 Si Si54 1 0.250480 0.088364 0.244964 1 Si Si55 1 0.250001 0.083694 0.583329 1 Si Si56 1 0.249521 0.088369 0.921697 1 Si Si57 1 0.249520 0.411636 0.244964 1 Si Si58 1 0.249999 0.416306 0.583329 1 Si Si59 1 0.250479 0.411631 0.921697 1 Si Si60 1 0.250000 0.750000 0.249635 1 Si Si61 1 0.250000 0.750000 0.583434 1 Si Si62 1 0.250000 0.750000 0.917023 1 Si Si63 1 0.582355 0.083730 0.249596 1 Si Si64 1 0.583047 0.083742 0.583239 1 Si Si65 1 0.582858 0.083637 0.916965 1 Si Si66 1 0.582859 0.416362 0.249692 1 Si Si67 1 0.583045 0.416260 0.583409 1 Si Si68 1 0.582356 0.416270 0.917059 1 Si Si69 1 0.583030 0.750083 0.249599 1 Si Si70 1 0.583158 0.750000 0.583329 1 Si Si71 1 0.583061 0.749915 0.917085 1 Si Si72 1 0.917141 0.083638 0.249692 1 Si Si73 1 0.916955 0.083740 0.583409 1 Si Si74 1 0.917644 0.083730 0.917059 1 Si Si75 1 0.917645 0.416270 0.249596 1 Si Si76 1 0.916953 0.416258 0.583239 1 Si Si77 1 0.917142 0.416363 0.916965 1 Si Si78 1 0.916970 0.749917 0.249599 1 Si Si79 1 0.916842 0.750000 0.583329 1 Si Si80 1 0.916939 0.750085 0.917085 1 Si Si81 1 0.001223 0.166635 0.166694 1 Si Si82 1 0.000310 0.166832 0.499704 1 Si Si83 1 0.003093 0.167133 0.836422 1 Si Si84 1 0.003090 0.496910 0.166195 1 Si Si85 1 0.000407 0.499593 0.499619 1 Si Si86 1 0.000169 0.499831 0.833497 1 Si Si87 1 0.000311 0.833624 0.166497 1 Si Si88 1 0.000288 0.833358 0.499968 1 Si Si89 1 0.000396 0.833706 0.833746 1 Si Si90 1 0.321779 0.178221 0.155108 1 Si Si91 1 0.333150 0.166850 0.499601 1 Si Si92 1 0.333365 0.166635 0.834551 1 Si Si93 1 0.333365 0.498777 0.166694 1 Si Si94 1 0.333168 0.499690 0.499704 1 Si Si95 1 0.332867 0.496907 0.836422 1 Si Si96 1 0.333149 0.833728 0.166479 1 Si Si97 1 0.332919 0.834050 0.499292 1 Si Si98 1 0.333171 0.833622 0.833641 1 Si Si99 1 0.666272 0.166851 0.166479 1 Si Si100 1 0.665950 0.167081 0.499292 1 Si Si101 1 0.666378 0.166829 0.833641 1 Si Si102 1 0.666376 0.499689 0.166497 1 Si Si103 1 0.666642 0.499712 0.499968 1 Si Si104 1 0.666294 0.499604 0.833746 1 Si Si105 1 0.665907 0.834093 0.166305 1 Si Si106 1 0.666577 0.833423 0.499907 1 Si Si107 1 0.666642 0.833358 0.833620 1 Si Si108 1 0.088364 0.250480 0.244964 1 Si Si109 1 0.083694 0.250001 0.583329 1 Si Si110 1 0.088369 0.249521 0.921697 1 Si Si111 1 0.083730 0.582355 0.249596 1 Si Si112 1 0.083742 0.583047 0.583239 1 Si Si113 1 0.083637 0.582858 0.916965 1 Si Si114 1 0.083638 0.917141 0.249692 1 Si Si115 1 0.083740 0.916955 0.583409 1 Si Si116 1 0.083730 0.917644 0.917059 1 Si Si117 1 0.411636 0.249520 0.244964 1 Si Si118 1 0.416306 0.249999 0.583329 1 Si Si119 1 0.411631 0.250479 0.921697 1 Si Si120 1 0.416362 0.582859 0.249692 1 Si Si121 1 0.416260 0.583045 0.583409 1 Si Si122 1 0.416270 0.582356 0.917059 1 Si Si123 1 0.416270 0.917645 0.249596 1 Si Si124 1 0.416258 0.916953 0.583239 1 Si Si125 1 0.416363 0.917142 0.916965 1 Si Si126 1 0.750000 0.250000 0.249635 1 Si Si127 1 0.750000 0.250000 0.583434 1 Si Si128 1 0.750000 0.250000 0.917023 1 Si Si129 1 0.750083 0.583030 0.249599 1 Si Si130 1 0.750000 0.583158 0.583329 1 Si Si131 1 0.749915 0.583061 0.917085 1 Si Si132 1 0.749917 0.916970 0.249599 1 Si Si133 1 0.750000 0.916842 0.583329 1 Si Si134 1 0.750085 0.916939 0.917085 1 Si Si135 1 0.166635 0.001223 0.166694 1 Si Si136 1 0.166832 0.000310 0.499704 1 Si Si137 1 0.167133 0.003093 0.836422 1 Si Si138 1 0.178221 0.321779 0.155108 1 Si Si139 1 0.166850 0.333150 0.499601 1 Si Si140 1 0.166635 0.333365 0.834551 1 Si Si141 1 0.166851 0.666272 0.166479 1 Si Si142 1 0.167081 0.665950 0.499292 1 Si Si143 1 0.166829 0.666378 0.833641 1 Si Si144 1 0.496910 0.003090 0.166195 1 Si Si145 1 0.499593 0.000407 0.499619 1 Si Si146 1 0.499831 0.000169 0.833497 1 Si Si147 1 0.498777 0.333365 0.166694 1 Si Si148 1 0.499690 0.333168 0.499704 1 Si Si149 1 0.496907 0.332867 0.836422 1 Si Si150 1 0.499689 0.666376 0.166497 1 Si Si151 1 0.499712 0.666642 0.499968 1 Si Si152 1 0.499604 0.666294 0.833746 1 Si Si153 1 0.833624 0.000311 0.166497 1 Si Si154 1 0.833358 0.000288 0.499968 1 Si Si155 1 0.833706 0.000396 0.833746 1 Si Si156 1 0.833728 0.333149 0.166479 1 Si Si157 1 0.834050 0.332919 0.499292 1 Si Si158 1 0.833622 0.333171 0.833641 1 Si Si159 1 0.834093 0.665907 0.166305 1 Si Si160 1 0.833423 0.666577 0.499907 1 Si Si161 1 0.833358 0.666642 0.833620 1 Si Si162 1 0.088366 0.088366 0.082849 1 Si Si163 1 0.083636 0.083636 0.416186 1 Si Si164 1 0.083731 0.083731 0.750970 1 Si Si165 1 0.088367 0.411633 0.083807 1 Si Si166 1 0.083732 0.416268 0.415680 1 Si Si167 1 0.083637 0.416363 0.750468 1 Si Si168 1 0.083694 0.749999 0.083328 1 Si Si169 1 0.083756 0.749914 0.416389 1 Si Si170 1 0.083727 0.750083 0.750297 1 Si Si171 1 0.411633 0.088367 0.083807 1 Si Si172 1 0.416268 0.083732 0.415680 1 Si Si173 1 0.416363 0.083637 0.750468 1 Si Si174 1 0.411634 0.411634 0.082849 1 Si Si175 1 0.416364 0.416364 0.416186 1 Si Si176 1 0.416269 0.416269 0.750970 1 Si Si177 1 0.416306 0.750001 0.083328 1 Si Si178 1 0.416244 0.750086 0.416389 1 Si Si179 1 0.416273 0.749917 0.750297 1 Si Si180 1 0.749999 0.083694 0.083328 1 Si Si181 1 0.749914 0.083756 0.416389 1 Si Si182 1 0.750083 0.083727 0.750297 1 Si Si183 1 0.750001 0.416306 0.083328 1 Si Si184 1 0.750086 0.416244 0.416389 1 Si Si185 1 0.749917 0.416273 0.750297 1 Si Si186 1 0.750000 0.750000 0.083436 1 Si Si187 1 0.750000 0.750000 0.416489 1 Si Si188 1 0.750000 0.750000 0.750171 1 Si Si189 1 0.178223 0.178223 0.011552 1 Si Si190 1 0.166635 0.166635 0.332105 1 Si Si191 1 0.166851 0.166851 0.667056 1 Si Si192 1 0.166635 0.498777 0.999964 1 Si Si193 1 0.167134 0.496915 0.330243 1 Si Si194 1 0.166826 0.499692 0.666947 1 Si Si195 1 0.166850 0.833729 0.000179 1 Si Si196 1 0.166829 0.833621 0.333022 1 Si Si197 1 0.167037 0.834091 0.667434 1 Si Si198 1 0.498777 0.166635 0.999964 1 Si Si199 1 0.496915 0.167134 0.330243 1 Si Si200 1 0.499692 0.166826 0.666947 1 Si Si201 1 0.496911 0.496911 0.000463 1 Si Si202 1 0.499832 0.499832 0.333158 1 Si Si203 1 0.499593 0.499593 0.667034 1 Si Si204 1 0.499691 0.833621 0.000155 1 Si Si205 1 0.499582 0.833705 0.332932 1 Si Si206 1 0.499711 0.833361 0.666686 1 Si Si207 1 0.833729 0.166850 0.000179 1 Si Si208 1 0.833621 0.166829 0.333022 1 Si Si209 1 0.834091 0.167037 0.667434 1 Si Si210 1 0.833621 0.499691 0.000155 1 Si Si211 1 0.833705 0.499582 0.332932 1 Si Si212 1 0.833361 0.499711 0.666686 1 Si Si213 1 0.834049 0.834049 0.000423 1 Si Si214 1 0.833357 0.833357 0.333039 1 Si Si215 1 0.833421 0.833421 0.666751 1 N N216 1 0.250000 0.250000 0.083328 1