data_image0 _chemical_formula_structural Ge12S24 _chemical_formula_sum "Ge12 S24" _cell_length_a 6.8035024139701745 _cell_length_b 22.610707 _cell_length_c 6.820682065064241 _cell_angle_alpha 90.0 _cell_angle_beta 119.89887471608245 _cell_angle_gamma 90.0 _space_group_name_H-M_alt "P 1" _space_group_IT_number 1 loop_ _space_group_symop_operation_xyz '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 Ge Ge1 1.0 0.49394033483913996 0.513514681341012 0.00123895848527158 1.0000 Ge Ge2 1.0 0.4939393801426659 0.486485451339491 0.501238959872091 1.0000 Ge Ge3 1.0 0.24114752870497694 0.7371635924520181 0.49401384943321996 1.0000 Ge Ge4 1.0 0.2411488897779149 0.262836097960139 0.9940155399043828 1.0000 Ge Ge5 1.0 0.0006615396982572266 0.986806825633537 0.49987887519967 1.0000 Ge Ge6 1.0 0.0006591162379764714 0.0131928647786201 0.999878878720057 1.0000 Ge Ge7 1.0 0.6375419576130679 0.624929596407578 0.745233723280948 1.0000 Ge Ge8 1.0 0.6375429123095419 0.375070094004579 0.24523372189412798 1.0000 Ge Ge9 1.0 0.14050746004081296 0.874723643095282 0.24657516577031297 1.0000 Ge Ge10 1.0 0.14050650534433906 0.125276489585222 0.7465751671571321 1.0000 Ge Ge11 1.0 0.7408585364933868 0.762868228755518 0.9928072997294239 1.0000 Ge Ge12 1.0 0.740857175420448 0.237131461656639 0.492805609258262 1.0000 S S1 1.0 0.367873028333027 0.753505850126668 0.860671317367535 1.0000 S S2 1.0 0.367873983029501 0.24649384028549 0.360671315980716 1.0000 S S3 1.0 0.39011250719986895 0.7999886956210611 0.3463581329503949 1.0000 S S4 1.0 0.39011070549778887 0.200011437059443 0.8463564431193029 1.0000 S S5 1.0 0.142173693194492 0.895222338691134 0.570243327216483 1.0000 S S6 1.0 0.14217464789096598 0.104777351721023 0.07024332582966379 1.0000 S S7 1.0 0.292511470776623 0.949017206759612 0.146747008436233 1.0000 S S8 1.0 0.29251051608014894 0.050982925920892305 0.6467470098230519 1.0000 S S9 1.0 0.3125368511575549 0.645341165139153 0.426095436517367 1.0000 S S10 1.0 0.31253589646108093 0.354658525273005 0.9260954379041859 1.0000 S S11 1.0 0.817875365062702 0.8541678948827212 0.9254426049726949 1.0000 S S12 1.0 0.8178733822315628 0.14583268006613 0.42544260785301197 1.0000 S S13 1.0 0.7609695051103349 0.00171688572144162 0.13165700821474396 1.0000 S S14 1.0 0.760969172172061 0.998283246959062 0.6316553162500839 1.0000 S S15 1.0 0.7870488390871588 0.550222511839192 0.6448980739623789 1.0000 S S16 1.0 0.7870483250198269 0.449778063109659 0.144898074709128 1.0000 S S17 1.0 0.8855631936338648 0.699754324356156 0.8419658144245749 1.0000 S S18 1.0 0.8855641483303389 0.300245366056002 0.341965813037755 1.0000 S S19 1.0 0.25426421996950493 0.503343393906259 0.13515006096198798 1.0000 S S20 1.0 0.254266202800643 0.496656296505899 0.635150058081671 1.0000 S S21 1.0 0.6393205980879619 0.604709529870074 0.0691606660302967 1.0000 S S22 1.0 0.639318796385881 0.395290160542083 0.569158976199204 1.0000 S S23 1.0 0.8677991768750739 0.746774525891649 0.3595676944902139 1.0000 S S24 1.0 0.8677982221785998 0.253225606788854 0.8595676958770337 1.0000