# generated using pymatgen data_Si215Cl _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 Si215Cl _chemical_formula_sum 'Si215 Cl1' _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 0.250006 0.250042 0.417519 1 Si Si2 1 0.250022 0.250001 0.749136 1 Si Si3 1 0.249930 0.584198 0.083361 1 Si Si4 1 0.250151 0.583906 0.417301 1 Si Si5 1 0.249777 0.583965 0.749544 1 Si Si6 1 0.250040 0.915826 0.083383 1 Si Si7 1 0.249915 0.916116 0.417225 1 Si Si8 1 0.250203 0.916158 0.749461 1 Si Si9 1 0.584142 0.249989 0.083337 1 Si Si10 1 0.583956 0.250200 0.417168 1 Si Si11 1 0.583863 0.249732 0.749432 1 Si Si12 1 0.583919 0.583875 0.083517 1 Si Si13 1 0.583384 0.583368 0.416944 1 Si Si14 1 0.583260 0.583290 0.750051 1 Si Si15 1 0.583888 0.916068 0.083146 1 Si Si16 1 0.583335 0.916584 0.416592 1 Si Si17 1 0.583561 0.916530 0.749869 1 Si Si18 1 0.915829 0.249998 0.083294 1 Si Si19 1 0.916135 0.249791 0.417194 1 Si Si20 1 0.916101 0.250155 0.749477 1 Si Si21 1 0.915960 0.583952 0.083204 1 Si Si22 1 0.916704 0.583308 0.416839 1 Si Si23 1 0.916474 0.583428 0.749848 1 Si Si24 1 0.916134 0.916108 0.083566 1 Si Si25 1 0.916601 0.916632 0.416836 1 Si Si26 1 0.916771 0.916724 0.749958 1 Si Si27 1 0.999226 0.999217 0.999439 1 Si Si28 1 0.999958 0.999926 0.333402 1 Si Si29 1 0.999963 0.999958 0.666519 1 Si Si30 1 0.998725 0.333403 0.999921 1 Si Si31 1 0.999195 0.334004 0.334159 1 Si Si32 1 0.999849 0.333297 0.666508 1 Si Si33 1 0.999698 0.666913 0.999994 1 Si Si34 1 0.999884 0.666807 0.333589 1 Si Si35 1 0.999853 0.666814 0.666679 1 Si Si36 1 0.333389 0.998732 0.999958 1 Si Si37 1 0.334025 0.999206 0.334128 1 Si Si38 1 0.333479 0.999749 0.666435 1 Si Si39 1 0.344350 0.344427 0.988952 1 Si Si40 1 0.333364 0.333428 0.334584 1 Si Si41 1 0.333484 0.333459 0.666275 1 Si Si42 1 0.333415 0.667051 0.999887 1 Si Si43 1 0.333405 0.666858 0.333612 1 Si Si44 1 0.333450 0.666948 0.666564 1 Si Si45 1 0.666888 0.999706 0.999877 1 Si Si46 1 0.666752 0.999828 0.333369 1 Si Si47 1 0.666781 0.999859 0.666529 1 Si Si48 1 0.667038 0.333406 0.999860 1 Si Si49 1 0.666975 0.333353 0.333476 1 Si Si50 1 0.666891 0.333344 0.666420 1 Si Si51 1 0.666919 0.666908 0.999886 1 Si Si52 1 0.666638 0.666648 0.333560 1 Si Si53 1 0.666728 0.666528 0.666674 1 Si Si54 1 0.248241 0.081667 0.251726 1 Si Si55 1 0.250130 0.083109 0.583315 1 Si Si56 1 0.251776 0.081650 0.914983 1 Si Si57 1 0.251711 0.418396 0.251705 1 Si Si58 1 0.249956 0.416926 0.583432 1 Si Si59 1 0.248229 0.418427 0.914972 1 Si Si60 1 0.250043 0.749978 0.250265 1 Si Si61 1 0.250007 0.750106 0.583473 1 Si Si62 1 0.249894 0.750092 0.916571 1 Si Si63 1 0.583678 0.083349 0.249934 1 Si Si64 1 0.583559 0.083204 0.583238 1 Si Si65 1 0.583773 0.082935 0.916321 1 Si Si66 1 0.583796 0.417007 0.250411 1 Si Si67 1 0.583484 0.416687 0.583420 1 Si Si68 1 0.583658 0.416585 0.916688 1 Si Si69 1 0.583417 0.749927 0.250221 1 Si Si70 1 0.583456 0.749925 0.583477 1 Si Si71 1 0.583589 0.750004 0.916551 1 Si Si72 1 0.916228 0.082965 0.250301 1 Si Si73 1 0.916507 0.083271 0.583375 1 Si Si74 1 0.916365 0.083361 0.916731 1 Si Si75 1 0.916291 0.416695 0.250027 1 Si Si76 1 0.916562 0.416636 0.583410 1 Si Si77 1 0.916126 0.417028 0.916330 1 Si Si78 1 0.916471 0.749987 0.250275 1 Si Si79 1 0.916642 0.750120 0.583300 1 Si Si80 1 0.916424 0.750017 0.916590 1 Si Si81 1 0.998754 0.166641 0.166693 1 Si Si82 1 0.999795 0.166600 0.500196 1 Si Si83 1 0.999191 0.166055 0.832544 1 Si Si84 1 0.999091 0.500906 0.167319 1 Si Si85 1 0.999921 0.500089 0.500269 1 Si Si86 1 0.999833 0.500099 0.833240 1 Si Si87 1 0.999733 0.833106 0.166849 1 Si Si88 1 0.999994 0.833385 0.500086 1 Si Si89 1 0.999824 0.833275 0.833308 1 Si Si90 1 0.344593 0.155435 0.177924 1 Si Si91 1 0.333516 0.166569 0.500336 1 Si Si92 1 0.333394 0.166613 0.832056 1 Si Si93 1 0.333338 0.501284 0.166720 1 Si Si94 1 0.333347 0.500233 0.500288 1 Si Si95 1 0.333962 0.500863 0.832539 1 Si Si96 1 0.333494 0.832898 0.166793 1 Si Si97 1 0.333535 0.833126 0.500290 1 Si Si98 1 0.333305 0.833172 0.833235 1 Si Si99 1 0.667057 0.166517 0.166734 1 Si Si100 1 0.666933 0.166482 0.500129 1 Si Si101 1 0.666866 0.166517 0.833099 1 Si Si102 1 0.666856 0.500210 0.166781 1 Si Si103 1 0.666703 0.499958 0.500076 1 Si Si104 1 0.666730 0.500048 0.833209 1 Si Si105 1 0.666779 0.833065 0.166905 1 Si Si106 1 0.666648 0.833280 0.500029 1 Si Si107 1 0.666844 0.833226 0.833163 1 Si Si108 1 0.081639 0.248263 0.251695 1 Si Si109 1 0.083144 0.249958 0.583304 1 Si Si110 1 0.081643 0.251784 0.914955 1 Si Si111 1 0.083283 0.583729 0.250046 1 Si Si112 1 0.083223 0.583577 0.583437 1 Si Si113 1 0.082882 0.583829 0.916343 1 Si Si114 1 0.083032 0.916177 0.250377 1 Si Si115 1 0.083370 0.916580 0.583388 1 Si Si116 1 0.083352 0.916359 0.916730 1 Si Si117 1 0.418358 0.251799 0.251708 1 Si Si118 1 0.416929 0.250002 0.583292 1 Si Si119 1 0.418338 0.248224 0.914985 1 Si Si120 1 0.416998 0.583775 0.250386 1 Si Si121 1 0.416689 0.583485 0.583512 1 Si Si122 1 0.416656 0.583708 0.916720 1 Si Si123 1 0.416664 0.916291 0.249967 1 Si Si124 1 0.416912 0.916476 0.583338 1 Si Si125 1 0.417047 0.916196 0.916333 1 Si Si126 1 0.750075 0.249949 0.250130 1 Si Si127 1 0.750058 0.249857 0.583328 1 Si Si128 1 0.749969 0.249936 0.916388 1 Si Si129 1 0.749951 0.583439 0.250263 1 Si Si130 1 0.750028 0.583278 0.583268 1 Si Si131 1 0.749904 0.583461 0.916540 1 Si Si132 1 0.749959 0.916475 0.250079 1 Si Si133 1 0.750071 0.916606 0.583198 1 Si Si134 1 0.750105 0.916451 0.916537 1 Si Si135 1 0.166662 0.998739 0.166747 1 Si Si136 1 0.166720 0.999817 0.500191 1 Si Si137 1 0.166043 0.999222 0.832534 1 Si Si138 1 0.155503 0.344525 0.177764 1 Si Si139 1 0.166553 0.333506 0.500413 1 Si Si140 1 0.166648 0.333392 0.832080 1 Si Si141 1 0.166505 0.667064 0.166855 1 Si Si142 1 0.166553 0.666946 0.500333 1 Si Si143 1 0.166548 0.666949 0.833225 1 Si Si144 1 0.500832 0.999155 0.167275 1 Si Si145 1 0.500183 0.999857 0.500072 1 Si Si146 1 0.500124 0.999863 0.833218 1 Si Si147 1 0.501253 0.333404 0.166716 1 Si Si148 1 0.500231 0.333398 0.500160 1 Si Si149 1 0.500796 0.333912 0.832516 1 Si Si150 1 0.500226 0.666821 0.166755 1 Si Si151 1 0.500081 0.666666 0.500228 1 Si Si152 1 0.500132 0.666825 0.833279 1 Si Si153 1 0.833085 0.999783 0.166699 1 Si Si154 1 0.833297 0.000015 0.499997 1 Si Si155 1 0.833308 0.999859 0.833246 1 Si Si156 1 0.832974 0.333484 0.166765 1 Si Si157 1 0.833166 0.333397 0.500261 1 Si Si158 1 0.833083 0.333389 0.833114 1 Si Si159 1 0.833033 0.666898 0.166992 1 Si Si160 1 0.833317 0.666725 0.500049 1 Si Si161 1 0.833254 0.666665 0.833250 1 Si Si162 1 0.081713 0.081666 0.085128 1 Si Si163 1 0.083024 0.082986 0.417143 1 Si Si164 1 0.083391 0.083412 0.749648 1 Si Si165 1 0.081530 0.418431 0.081599 1 Si Si166 1 0.083348 0.416694 0.417061 1 Si Si167 1 0.082953 0.417014 0.749580 1 Si Si168 1 0.083027 0.750001 0.083436 1 Si Si169 1 0.083294 0.750027 0.416916 1 Si Si170 1 0.083155 0.750089 0.749969 1 Si Si171 1 0.418340 0.081631 0.081593 1 Si Si172 1 0.416720 0.083371 0.417000 1 Si Si173 1 0.417057 0.082959 0.749513 1 Si Si174 1 0.418349 0.418391 0.085116 1 Si Si175 1 0.416973 0.417042 0.417187 1 Si Si176 1 0.416613 0.416628 0.749682 1 Si Si177 1 0.416927 0.749937 0.083335 1 Si Si178 1 0.416766 0.749944 0.416953 1 Si Si179 1 0.416718 0.750035 0.750049 1 Si Si180 1 0.749967 0.083070 0.083249 1 Si Si181 1 0.749978 0.083185 0.416675 1 Si Si182 1 0.750041 0.083110 0.749865 1 Si Si183 1 0.749918 0.416871 0.083366 1 Si Si184 1 0.750072 0.416655 0.416872 1 Si Si185 1 0.749901 0.416700 0.749803 1 Si Si186 1 0.749956 0.750007 0.083499 1 Si Si187 1 0.749927 0.749983 0.416755 1 Si Si188 1 0.750096 0.749920 0.749813 1 Si Si189 1 0.155604 0.155622 0.988908 1 Si Si190 1 0.166621 0.166666 0.334605 1 Si Si191 1 0.166612 0.166527 0.666246 1 Si Si192 1 0.166540 0.501291 0.999965 1 Si Si193 1 0.166005 0.500851 0.334178 1 Si Si194 1 0.166576 0.500279 0.666557 1 Si Si195 1 0.166453 0.833004 0.000002 1 Si Si196 1 0.166665 0.833121 0.333588 1 Si Si197 1 0.166485 0.833156 0.666561 1 Si Si198 1 0.501237 0.166606 0.999956 1 Si Si199 1 0.500864 0.166054 0.334115 1 Si Si200 1 0.500227 0.166555 0.666388 1 Si Si201 1 0.500821 0.500797 0.999379 1 Si Si202 1 0.500072 0.500075 0.333474 1 Si Si203 1 0.500082 0.500062 0.666592 1 Si Si204 1 0.500234 0.833075 0.999928 1 Si Si205 1 0.500040 0.833149 0.333497 1 Si Si206 1 0.500121 0.833219 0.666737 1 Si Si207 1 0.832935 0.166535 0.999858 1 Si Si208 1 0.833171 0.166596 0.333482 1 Si Si209 1 0.833111 0.166466 0.666530 1 Si Si210 1 0.833031 0.500222 0.999964 1 Si Si211 1 0.833222 0.500118 0.333568 1 Si Si212 1 0.833271 0.499990 0.666596 1 Si Si213 1 0.833088 0.833084 0.999951 1 Si Si214 1 0.833256 0.833360 0.333518 1 Si Si215 1 0.833367 0.833382 0.666619 1 Cl Cl216 1 0.249784 0.250571 0.082835 1