# generated using pymatgen data_KSi215 _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 KSi215 _chemical_formula_sum 'K1 Si215' _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 K K1 1 0.250000 0.250000 0.083308 1 Si Si2 1 0.250000 0.250000 0.417791 1 Si Si3 1 0.250000 0.250000 0.748932 1 Si Si4 1 0.249998 0.584435 0.083342 1 Si Si5 1 0.250284 0.585097 0.418445 1 Si Si6 1 0.249716 0.585125 0.748216 1 Si Si7 1 0.250002 0.915565 0.083342 1 Si Si8 1 0.249716 0.914903 0.418445 1 Si Si9 1 0.250284 0.914875 0.748216 1 Si Si10 1 0.584435 0.249998 0.083342 1 Si Si11 1 0.585097 0.250284 0.418445 1 Si Si12 1 0.585125 0.249716 0.748216 1 Si Si13 1 0.585112 0.585112 0.083617 1 Si Si14 1 0.583426 0.583426 0.416700 1 Si Si15 1 0.583191 0.583191 0.750142 1 Si Si16 1 0.585111 0.914889 0.083051 1 Si Si17 1 0.583192 0.916808 0.416529 1 Si Si18 1 0.583408 0.916592 0.749916 1 Si Si19 1 0.915565 0.250002 0.083342 1 Si Si20 1 0.914903 0.249716 0.418445 1 Si Si21 1 0.914875 0.250284 0.748216 1 Si Si22 1 0.914889 0.585111 0.083051 1 Si Si23 1 0.916808 0.583192 0.416529 1 Si Si24 1 0.916592 0.583408 0.749916 1 Si Si25 1 0.914888 0.914888 0.083617 1 Si Si26 1 0.916574 0.916574 0.416700 1 Si Si27 1 0.916809 0.916809 0.750142 1 Si Si28 1 0.998071 0.998071 0.000553 1 Si Si29 1 0.000001 0.000001 0.333346 1 Si Si30 1 0.000099 0.000099 0.667040 1 Si Si31 1 0.998537 0.333301 0.000037 1 Si Si32 1 0.998084 0.332780 0.335265 1 Si Si33 1 0.999542 0.333447 0.666273 1 Si Si34 1 0.999559 0.667081 0.999910 1 Si Si35 1 0.000085 0.666294 0.333221 1 Si Si36 1 0.999887 0.666685 0.666649 1 Si Si37 1 0.333301 0.998537 0.000037 1 Si Si38 1 0.332780 0.998084 0.335265 1 Si Si39 1 0.333447 0.999542 0.666273 1 Si Si40 1 0.358615 0.358615 0.974723 1 Si Si41 1 0.333297 0.333297 0.334803 1 Si Si42 1 0.333584 0.333584 0.666317 1 Si Si43 1 0.333586 0.667065 0.999764 1 Si Si44 1 0.333443 0.667072 0.333795 1 Si Si45 1 0.333613 0.667450 0.665857 1 Si Si46 1 0.667081 0.999559 0.999910 1 Si Si47 1 0.666294 0.000085 0.333221 1 Si Si48 1 0.666685 0.999887 0.666649 1 Si Si49 1 0.667065 0.333586 0.999764 1 Si Si50 1 0.667072 0.333443 0.333795 1 Si Si51 1 0.667450 0.333613 0.665857 1 Si Si52 1 0.667410 0.667410 0.999642 1 Si Si53 1 0.666697 0.666697 0.333430 1 Si Si54 1 0.666640 0.666640 0.666706 1 Si Si55 1 0.247792 0.080074 0.253271 1 Si Si56 1 0.250002 0.083050 0.583370 1 Si Si57 1 0.252203 0.080054 0.913408 1 Si Si58 1 0.252208 0.419926 0.253271 1 Si Si59 1 0.249998 0.416950 0.583370 1 Si Si60 1 0.247797 0.419946 0.913408 1 Si Si61 1 0.250000 0.750000 0.250307 1 Si Si62 1 0.250000 0.750000 0.583212 1 Si Si63 1 0.250000 0.750000 0.916388 1 Si Si64 1 0.582907 0.083551 0.249792 1 Si Si65 1 0.583414 0.083026 0.583107 1 Si Si66 1 0.583956 0.083021 0.916355 1 Si Si67 1 0.583942 0.416984 0.250325 1 Si Si68 1 0.583419 0.416975 0.583558 1 Si Si69 1 0.582925 0.416446 0.916895 1 Si Si70 1 0.583433 0.750237 0.250282 1 Si Si71 1 0.583471 0.749990 0.583335 1 Si Si72 1 0.583388 0.749776 0.916349 1 Si Si73 1 0.916058 0.083016 0.250325 1 Si Si74 1 0.916581 0.083025 0.583558 1 Si Si75 1 0.917075 0.083554 0.916895 1 Si Si76 1 0.917093 0.416449 0.249792 1 Si Si77 1 0.916586 0.416974 0.583107 1 Si Si78 1 0.916044 0.416979 0.916355 1 Si Si79 1 0.916567 0.749763 0.250282 1 Si Si80 1 0.916529 0.750010 0.583335 1 Si Si81 1 0.916612 0.750224 0.916349 1 Si Si82 1 0.998543 0.166698 0.166638 1 Si Si83 1 0.999560 0.166570 0.500426 1 Si Si84 1 0.998059 0.167218 0.831407 1 Si Si85 1 0.998072 0.501928 0.166116 1 Si Si86 1 0.000103 0.499897 0.499628 1 Si Si87 1 0.999985 0.500015 0.833339 1 Si Si88 1 0.999545 0.832932 0.166783 1 Si Si89 1 0.999866 0.833329 0.500007 1 Si Si90 1 0.000117 0.833705 0.833420 1 Si Si91 1 0.358604 0.141396 0.191936 1 Si Si92 1 0.333582 0.166418 0.500419 1 Si Si93 1 0.333310 0.166690 0.831896 1 Si Si94 1 0.333302 0.501457 0.166638 1 Si Si95 1 0.333430 0.500440 0.500426 1 Si Si96 1 0.332782 0.501941 0.831407 1 Si Si97 1 0.333581 0.832946 0.166938 1 Si Si98 1 0.333670 0.832583 0.500729 1 Si Si99 1 0.333436 0.832919 0.832883 1 Si Si100 1 0.667054 0.166419 0.166938 1 Si Si101 1 0.667417 0.166330 0.500729 1 Si Si102 1 0.667081 0.166564 0.832883 1 Si Si103 1 0.667068 0.500455 0.166783 1 Si Si104 1 0.666671 0.500134 0.500007 1 Si Si105 1 0.666295 0.499883 0.833420 1 Si Si106 1 0.667457 0.832543 0.166919 1 Si Si107 1 0.666634 0.833366 0.499975 1 Si Si108 1 0.666675 0.833325 0.833219 1 Si Si109 1 0.080074 0.247792 0.253271 1 Si Si110 1 0.083050 0.250002 0.583370 1 Si Si111 1 0.080054 0.252203 0.913408 1 Si Si112 1 0.083551 0.582907 0.249792 1 Si Si113 1 0.083026 0.583415 0.583107 1 Si Si114 1 0.083021 0.583956 0.916355 1 Si Si115 1 0.083016 0.916058 0.250325 1 Si Si116 1 0.083025 0.916581 0.583558 1 Si Si117 1 0.083554 0.917075 0.916895 1 Si Si118 1 0.419926 0.252208 0.253271 1 Si Si119 1 0.416950 0.249998 0.583370 1 Si Si120 1 0.419946 0.247797 0.913408 1 Si Si121 1 0.416984 0.583942 0.250325 1 Si Si122 1 0.416975 0.583419 0.583558 1 Si Si123 1 0.416446 0.582925 0.916895 1 Si Si124 1 0.416449 0.917093 0.249792 1 Si Si125 1 0.416974 0.916585 0.583107 1 Si Si126 1 0.416979 0.916044 0.916355 1 Si Si127 1 0.750000 0.250000 0.250307 1 Si Si128 1 0.750000 0.250000 0.583212 1 Si Si129 1 0.750000 0.250000 0.916388 1 Si Si130 1 0.750237 0.583433 0.250282 1 Si Si131 1 0.749990 0.583471 0.583335 1 Si Si132 1 0.749776 0.583388 0.916349 1 Si Si133 1 0.749763 0.916567 0.250282 1 Si Si134 1 0.750010 0.916529 0.583335 1 Si Si135 1 0.750224 0.916612 0.916349 1 Si Si136 1 0.166698 0.998543 0.166638 1 Si Si137 1 0.166570 0.999560 0.500426 1 Si Si138 1 0.167218 0.998059 0.831407 1 Si Si139 1 0.141396 0.358604 0.191936 1 Si Si140 1 0.166418 0.333582 0.500419 1 Si Si141 1 0.166690 0.333310 0.831896 1 Si Si142 1 0.166419 0.667054 0.166938 1 Si Si143 1 0.166330 0.667417 0.500729 1 Si Si144 1 0.166564 0.667081 0.832883 1 Si Si145 1 0.501928 0.998072 0.166116 1 Si Si146 1 0.499897 0.000103 0.499628 1 Si Si147 1 0.500015 0.999985 0.833339 1 Si Si148 1 0.501457 0.333302 0.166638 1 Si Si149 1 0.500440 0.333430 0.500426 1 Si Si150 1 0.501941 0.332782 0.831407 1 Si Si151 1 0.500455 0.667068 0.166783 1 Si Si152 1 0.500134 0.666671 0.500007 1 Si Si153 1 0.499883 0.666295 0.833420 1 Si Si154 1 0.832932 0.999545 0.166783 1 Si Si155 1 0.833329 0.999866 0.500007 1 Si Si156 1 0.833705 0.000117 0.833420 1 Si Si157 1 0.832946 0.333581 0.166938 1 Si Si158 1 0.832583 0.333670 0.500729 1 Si Si159 1 0.832919 0.333436 0.832883 1 Si Si160 1 0.832543 0.667457 0.166919 1 Si Si161 1 0.833366 0.666634 0.499975 1 Si Si162 1 0.833325 0.666675 0.833219 1 Si Si163 1 0.080064 0.080064 0.085543 1 Si Si164 1 0.083023 0.083022 0.417293 1 Si Si165 1 0.083545 0.083545 0.750434 1 Si Si166 1 0.080063 0.419937 0.081124 1 Si Si167 1 0.083562 0.416438 0.416266 1 Si Si168 1 0.083008 0.416992 0.749399 1 Si Si169 1 0.083047 0.750002 0.083364 1 Si Si170 1 0.083004 0.749779 0.416737 1 Si Si171 1 0.083046 0.750228 0.749899 1 Si Si172 1 0.419937 0.080063 0.081124 1 Si Si173 1 0.416438 0.083562 0.416266 1 Si Si174 1 0.416992 0.083008 0.749399 1 Si Si175 1 0.419936 0.419936 0.085543 1 Si Si176 1 0.416977 0.416978 0.417293 1 Si Si177 1 0.416455 0.416455 0.750434 1 Si Si178 1 0.416953 0.749998 0.083364 1 Si Si179 1 0.416996 0.750221 0.416737 1 Si Si180 1 0.416954 0.749772 0.749899 1 Si Si181 1 0.750002 0.083047 0.083364 1 Si Si182 1 0.749779 0.083004 0.416737 1 Si Si183 1 0.750228 0.083046 0.749899 1 Si Si184 1 0.749998 0.416953 0.083364 1 Si Si185 1 0.750221 0.416996 0.416737 1 Si Si186 1 0.749772 0.416954 0.749899 1 Si Si187 1 0.750000 0.750000 0.083200 1 Si Si188 1 0.750000 0.750000 0.416814 1 Si Si189 1 0.750000 0.750000 0.749881 1 Si Si190 1 0.141385 0.141385 0.974723 1 Si Si191 1 0.166703 0.166703 0.334803 1 Si Si192 1 0.166416 0.166416 0.666317 1 Si Si193 1 0.166699 0.501463 0.000037 1 Si Si194 1 0.167220 0.501916 0.335265 1 Si Si195 1 0.166553 0.500458 0.666273 1 Si Si196 1 0.166414 0.832935 0.999764 1 Si Si197 1 0.166557 0.832928 0.333795 1 Si Si198 1 0.166387 0.832550 0.665857 1 Si Si199 1 0.501463 0.166699 0.000037 1 Si Si200 1 0.501916 0.167220 0.335265 1 Si Si201 1 0.500458 0.166553 0.666273 1 Si Si202 1 0.501929 0.501929 0.000553 1 Si Si203 1 0.499999 0.499999 0.333346 1 Si Si204 1 0.499901 0.499901 0.667040 1 Si Si205 1 0.500441 0.832919 0.999910 1 Si Si206 1 0.499915 0.833706 0.333221 1 Si Si207 1 0.500113 0.833315 0.666649 1 Si Si208 1 0.832935 0.166414 0.999764 1 Si Si209 1 0.832928 0.166557 0.333795 1 Si Si210 1 0.832550 0.166387 0.665857 1 Si Si211 1 0.832919 0.500441 0.999910 1 Si Si212 1 0.833706 0.499915 0.333221 1 Si Si213 1 0.833315 0.500113 0.666649 1 Si Si214 1 0.832590 0.832590 0.999642 1 Si Si215 1 0.833303 0.833303 0.333430 1 Si Si216 1 0.833360 0.833360 0.666706 1