data_image0 _chemical_formula_structural Ag16Cl16 _chemical_formula_sum "Ag16 Cl16" _cell_length_a 8.272144701573627 _cell_length_b 14.613144705547214 _cell_length_c 21.71336121 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _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 Ag Ag1 1.0 0.04915713453642137 0.08129899100698135 0.5679055338664447 1.0000 Ag Ag2 1.0 0.9508520055873434 0.0812968107781092 0.43209780601259573 1.0000 Ag Ag3 1.0 0.45085078471735746 0.0812969510627667 0.5679029336241582 1.0000 Ag Ag4 1.0 0.5491587954373948 0.08129913060732344 0.43209429619210954 1.0000 Ag Ag5 1.0 0.5491587845575077 0.58129911125669 0.5679056835438699 1.0000 Ag Ag6 1.0 0.4508507750463467 0.5812969611376955 0.4320970663758419 1.0000 Ag Ag7 1.0 0.9508519947074565 0.5812968311177691 0.5679022036588688 1.0000 Ag Ag8 1.0 0.04915713453642137 0.5812989908171792 0.4320944762655658 1.0000 Ag Ag9 1.0 0.25000000055688015 0.3158872462439728 0.617266810530805 1.0000 Ag Ag10 1.0 0.749997629855264 0.31588683633904674 0.38273349987714783 1.0000 Ag Ag11 1.0 0.749997629855264 0.8158868258845136 0.6172665001228523 1.0000 Ag Ag12 1.0 0.25000000055688015 0.8158872460541706 0.3827331894691951 1.0000 Ag Ag13 1.0 0.0 0.9085374967210273 0.49999999976972714 1.0000 Ag Ag14 1.0 0.499999999904884 0.9085372969009299 0.49999999976972714 1.0000 Ag Ag15 1.0 0.499999999904884 0.408537286826001 0.49999999976972714 1.0000 Ag Ag16 1.0 0.0 0.4085375270207072 0.49999999976972714 1.0000 Cl Cl1 1.0 0.0024610846595201075 0.4244592532944284 0.6110358305046593 1.0000 Cl Cl2 1.0 0.9975408952896907 0.42446697374079867 0.38896628938822875 1.0000 Cl Cl3 1.0 0.4975421850656281 0.4244671838256272 0.6110340707586839 1.0000 Cl Cl4 1.0 0.5024597646616742 0.4244586435694048 0.3889647193871741 1.0000 Cl Cl5 1.0 0.5024597646616742 0.9244586433796027 0.6110352704808156 1.0000 Cl Cl6 1.0 0.49754220440764946 0.9244671733710941 0.38896592924131623 1.0000 Cl Cl7 1.0 0.9975408952896907 0.9244669735509965 0.6110337106117714 1.0000 Cl Cl8 1.0 0.002461095539407099 0.9244592435242106 0.38896415936333056 1.0000 Cl Cl9 1.0 0.25000000055688015 0.15436686595895366 0.6488651311852791 1.0000 Cl Cl10 1.0 0.7499950996770871 0.15436646631875864 0.35113494894971176 1.0000 Cl Cl11 1.0 0.7499951395700063 0.6543664661289564 0.6488650611822987 1.0000 Cl Cl12 1.0 0.25000000055688015 0.6543668561887359 0.35113486881472095 1.0000 Cl Cl13 1.0 0.0 0.21507306081811015 0.49999999976972714 1.0000 Cl Cl14 1.0 0.499999999904884 0.2150728507332816 0.49999999976972714 1.0000 Cl Cl15 1.0 0.499999999904884 0.7150728505434794 0.49999999976972714 1.0000 Cl Cl16 1.0 0.0 0.7150730510478923 0.49999999976972714 1.0000