# generated using pymatgen data_Si216N _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 Si216N _chemical_formula_sum 'Si216 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 0.257138 0.244271 0.086107 1 Si Si2 1 0.250771 0.248186 0.418323 1 Si Si3 1 0.249638 0.250091 0.750384 1 Si Si4 1 0.249151 0.582835 0.083199 1 Si Si5 1 0.249055 0.582728 0.415915 1 Si Si6 1 0.249442 0.582686 0.750527 1 Si Si7 1 0.249824 0.916411 0.083586 1 Si Si8 1 0.250237 0.915337 0.417621 1 Si Si9 1 0.249545 0.916496 0.750665 1 Si Si10 1 0.583330 0.249614 0.083347 1 Si Si11 1 0.583970 0.249607 0.417035 1 Si Si12 1 0.583420 0.249692 0.750057 1 Si Si13 1 0.583020 0.583410 0.083222 1 Si Si14 1 0.582841 0.582730 0.416340 1 Si Si15 1 0.582202 0.583473 0.749356 1 Si Si16 1 0.583921 0.916076 0.083220 1 Si Si17 1 0.583507 0.916203 0.416759 1 Si Si18 1 0.582841 0.916552 0.750027 1 Si Si19 1 0.918916 0.252646 0.082658 1 Si Si20 1 0.917584 0.250284 0.415705 1 Si Si21 1 0.916131 0.249890 0.749882 1 Si Si22 1 0.911642 0.587619 0.081448 1 Si Si23 1 0.916658 0.582898 0.416160 1 Si Si24 1 0.915579 0.584197 0.748544 1 Si Si25 1 0.916582 0.917089 0.083287 1 Si Si26 1 0.916310 0.916478 0.416321 1 Si Si27 1 0.916206 0.917085 0.749839 1 Si Si28 1 0.000243 0.000715 0.000450 1 Si Si29 1 0.999693 0.999881 0.333337 1 Si Si30 1 0.999807 0.000173 0.666885 1 Si Si31 1 0.991162 0.337592 0.990814 1 Si Si32 1 0.002333 0.332387 0.332054 1 Si Si33 1 0.999553 0.333169 0.666516 1 Si Si34 1 0.998647 0.667783 0.999041 1 Si Si35 1 0.000090 0.666377 0.333028 1 Si Si36 1 0.999407 0.667206 0.665769 1 Si Si37 1 0.332693 0.000158 0.000153 1 Si Si38 1 0.334357 0.998054 0.334416 1 Si Si39 1 0.333361 0.999400 0.667481 1 Si Si40 1 0.333153 0.332738 0.001154 1 Si Si41 1 0.334846 0.331652 0.335256 1 Si Si42 1 0.333197 0.333008 0.666828 1 Si Si43 1 0.332832 0.666195 0.000399 1 Si Si44 1 0.332950 0.666196 0.333196 1 Si Si45 1 0.332772 0.665866 0.666962 1 Si Si46 1 0.666679 0.000230 0.000146 1 Si Si47 1 0.667100 0.999617 0.333556 1 Si Si48 1 0.666519 0.999685 0.666839 1 Si Si49 1 0.666355 0.333187 0.999755 1 Si Si50 1 0.666906 0.333044 0.333194 1 Si Si51 1 0.664899 0.332869 0.664740 1 Si Si52 1 0.665370 0.667473 0.999593 1 Si Si53 1 0.666606 0.665772 0.333163 1 Si Si54 1 0.666179 0.666553 0.666317 1 Si Si55 1 0.251127 0.080943 0.251789 1 Si Si56 1 0.250072 0.082516 0.584333 1 Si Si57 1 0.248735 0.084645 0.917794 1 Si Si58 1 0.252661 0.415055 0.252400 1 Si Si59 1 0.249709 0.416246 0.583405 1 Si Si60 1 0.248877 0.416318 0.917874 1 Si Si61 1 0.249725 0.749810 0.249911 1 Si Si62 1 0.249592 0.749330 0.583823 1 Si Si63 1 0.249293 0.749419 0.916775 1 Si Si64 1 0.584018 0.082816 0.250186 1 Si Si65 1 0.583428 0.083004 0.583582 1 Si Si66 1 0.582896 0.083090 0.916809 1 Si Si67 1 0.583232 0.416300 0.249974 1 Si Si68 1 0.582499 0.416517 0.582439 1 Si Si69 1 0.582926 0.416586 0.916423 1 Si Si70 1 0.583658 0.749471 0.249913 1 Si Si71 1 0.582830 0.749707 0.583152 1 Si Si72 1 0.582217 0.750449 0.916279 1 Si Si73 1 0.917875 0.084565 0.248917 1 Si Si74 1 0.916259 0.083152 0.583312 1 Si Si75 1 0.916670 0.083965 0.917068 1 Si Si76 1 0.918798 0.416543 0.247957 1 Si Si77 1 0.916357 0.416565 0.582951 1 Si Si78 1 0.908715 0.418337 0.909020 1 Si Si79 1 0.916229 0.749708 0.249651 1 Si Si80 1 0.916077 0.750231 0.582604 1 Si Si81 1 0.915764 0.750993 0.915889 1 Si Si82 1 0.002615 0.169074 0.167253 1 Si Si83 1 0.999852 0.166144 0.500140 1 Si Si84 1 0.000322 0.167635 0.834308 1 Si Si85 1 0.994709 0.506689 0.164102 1 Si Si86 1 0.000051 0.499689 0.499702 1 Si Si87 1 0.998105 0.500835 0.831610 1 Si Si88 1 0.999679 0.833362 0.166651 1 Si Si89 1 0.999749 0.833495 0.499958 1 Si Si90 1 0.999609 0.834007 0.833023 1 Si Si91 1 0.338008 0.161279 0.168648 1 Si Si92 1 0.334142 0.165658 0.501426 1 Si Si93 1 0.332849 0.166655 0.833885 1 Si Si94 1 0.332762 0.499188 0.166801 1 Si Si95 1 0.332684 0.499422 0.499511 1 Si Si96 1 0.332672 0.499030 0.834187 1 Si Si97 1 0.333390 0.833065 0.166823 1 Si Si98 1 0.333472 0.832199 0.500680 1 Si Si99 1 0.332737 0.832868 0.833657 1 Si Si100 1 0.667008 0.166554 0.166737 1 Si Si101 1 0.667047 0.166169 0.500167 1 Si Si102 1 0.666413 0.166282 0.833681 1 Si Si103 1 0.666397 0.499834 0.166467 1 Si Si104 1 0.666441 0.499554 0.499350 1 Si Si105 1 0.665335 0.500199 0.832402 1 Si Si106 1 0.666305 0.833754 0.166824 1 Si Si107 1 0.666552 0.832845 0.500008 1 Si Si108 1 0.666236 0.833501 0.833273 1 Si Si109 1 0.087535 0.241378 0.259097 1 Si Si110 1 0.083107 0.249551 0.583518 1 Si Si111 1 0.082357 0.252376 0.918080 1 Si Si112 1 0.082736 0.583242 0.249000 1 Si Si113 1 0.082962 0.583233 0.583232 1 Si Si114 1 0.081594 0.585046 0.914574 1 Si Si115 1 0.083166 0.916391 0.250298 1 Si Si116 1 0.082914 0.915023 0.585192 1 Si Si117 1 0.083009 0.916992 0.916872 1 Si Si118 1 0.417782 0.248635 0.251008 1 Si Si119 1 0.417151 0.249436 0.584255 1 Si Si120 1 0.416269 0.250104 0.917062 1 Si Si121 1 0.416149 0.582888 0.249609 1 Si Si122 1 0.415850 0.582757 0.583092 1 Si Si123 1 0.416133 0.582968 0.916845 1 Si Si124 1 0.417500 0.915357 0.250454 1 Si Si125 1 0.416531 0.916166 0.583729 1 Si Si126 1 0.415798 0.916591 0.916850 1 Si Si127 1 0.750601 0.250251 0.249592 1 Si Si128 1 0.750138 0.249763 0.583087 1 Si Si129 1 0.749763 0.249683 0.916642 1 Si Si130 1 0.750188 0.582674 0.249863 1 Si Si131 1 0.749358 0.583384 0.582516 1 Si Si132 1 0.748052 0.584335 0.915635 1 Si Si133 1 0.750312 0.916735 0.249844 1 Si Si134 1 0.749670 0.916499 0.583190 1 Si Si135 1 0.749628 0.917118 0.916451 1 Si Si136 1 0.166794 0.999727 0.167215 1 Si Si137 1 0.167036 0.996753 0.503100 1 Si Si138 1 0.166485 0.000452 0.833902 1 Si Si139 1 0.177343 0.316743 0.179508 1 Si Si140 1 0.166735 0.332582 0.500111 1 Si Si141 1 0.166052 0.333596 0.833518 1 Si Si142 1 0.166319 0.666726 0.166383 1 Si Si143 1 0.166391 0.666373 0.499898 1 Si Si144 1 0.165595 0.667236 0.832349 1 Si Si145 1 0.501709 0.998036 0.167202 1 Si Si146 1 0.500251 0.999296 0.500475 1 Si Si147 1 0.499551 0.999632 0.833678 1 Si Si148 1 0.499917 0.332669 0.166952 1 Si Si149 1 0.500126 0.332610 0.500291 1 Si Si150 1 0.499865 0.332916 0.833290 1 Si Si151 1 0.499814 0.666536 0.166733 1 Si Si152 1 0.499701 0.665899 0.500072 1 Si Si153 1 0.499155 0.666530 0.833224 1 Si Si154 1 0.833716 0.000507 0.166862 1 Si Si155 1 0.833196 0.999722 0.499888 1 Si Si156 1 0.833343 0.000421 0.833568 1 Si Si157 1 0.833781 0.333796 0.165873 1 Si Si158 1 0.833621 0.332846 0.499484 1 Si Si159 1 0.828222 0.333015 0.828622 1 Si Si160 1 0.830309 0.668881 0.166183 1 Si Si161 1 0.833109 0.666397 0.499368 1 Si Si162 1 0.832560 0.667096 0.832791 1 Si Si163 1 0.083816 0.083863 0.084159 1 Si Si164 1 0.083036 0.078334 0.421320 1 Si Si165 1 0.082855 0.083665 0.750517 1 Si Si166 1 0.066987 0.427155 0.070126 1 Si Si167 1 0.083581 0.416115 0.416577 1 Si Si168 1 0.082581 0.416780 0.749930 1 Si Si169 1 0.082714 0.749946 0.083044 1 Si Si170 1 0.082922 0.749921 0.416782 1 Si Si171 1 0.082603 0.750231 0.749668 1 Si Si172 1 0.419127 0.080045 0.083800 1 Si Si173 1 0.417090 0.082588 0.417264 1 Si Si174 1 0.416347 0.083138 0.750646 1 Si Si175 1 0.416702 0.416322 0.083680 1 Si Si176 1 0.417129 0.415580 0.417551 1 Si Si177 1 0.416314 0.416393 0.750196 1 Si Si178 1 0.416476 0.749805 0.083295 1 Si Si179 1 0.416553 0.749163 0.416818 1 Si Si180 1 0.415924 0.749717 0.749973 1 Si Si181 1 0.750428 0.083700 0.083110 1 Si Si182 1 0.750427 0.083329 0.416431 1 Si Si183 1 0.749700 0.083205 0.750151 1 Si Si184 1 0.749707 0.416833 0.082790 1 Si Si185 1 0.750415 0.416501 0.416125 1 Si Si186 1 0.746659 0.416993 0.746831 1 Si Si187 1 0.748247 0.751513 0.082818 1 Si Si188 1 0.749631 0.749589 0.416302 1 Si Si189 1 0.749333 0.750274 0.749553 1 Si Si190 1 0.166615 0.168895 0.002183 1 Si Si191 1 0.168323 0.158849 0.340838 1 Si Si192 1 0.166567 0.166415 0.667047 1 Si Si193 1 0.164966 0.502991 0.997439 1 Si Si194 1 0.166307 0.498982 0.332265 1 Si Si195 1 0.166263 0.499747 0.666622 1 Si Si196 1 0.166343 0.833295 0.000023 1 Si Si197 1 0.166572 0.832994 0.333615 1 Si Si198 1 0.166501 0.832612 0.667533 1 Si Si199 1 0.499689 0.166199 0.000333 1 Si Si200 1 0.500981 0.165784 0.334156 1 Si Si201 1 0.500181 0.166055 0.667376 1 Si Si202 1 0.499775 0.499781 0.000131 1 Si Si203 1 0.499366 0.499301 0.333196 1 Si Si204 1 0.499290 0.499586 0.666248 1 Si Si205 1 0.499485 0.833605 0.000120 1 Si Si206 1 0.500472 0.832197 0.333752 1 Si Si207 1 0.499713 0.832853 0.666886 1 Si Si208 1 0.834443 0.167851 0.001028 1 Si Si209 1 0.833915 0.166679 0.332914 1 Si Si210 1 0.833139 0.166316 0.666731 1 Si Si211 1 0.830974 0.501106 0.998195 1 Si Si212 1 0.834635 0.498765 0.332277 1 Si Si213 1 0.832450 0.500071 0.665660 1 Si Si214 1 0.832832 0.834058 0.999851 1 Si Si215 1 0.833136 0.832958 0.333191 1 Si Si216 1 0.833064 0.833445 0.666452 1 N N217 1 0.098870 0.347171 0.123272 1