data_image0 _chemical_formula_structural Ge2Ba2Cu4S8 _chemical_formula_sum "Ge2 Ba2 Cu4 S8" _cell_length_a 8.64306699468286 _cell_length_b 6.242294229148125 _cell_length_c 6.385236772590584 _cell_angle_alpha 90.00000082535888 _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 Ge Ge1 1.0 0.5000000000000002 0.21293764831659365 0.4898996772753086 1.0000 Ge Ge2 1.0 1.4424747180103274e-17 0.7870623400608369 0.9898997093428906 1.0000 Ba Ba1 1.0 0.5000000000000007 0.7592171602172202 0.9804460414899614 1.0000 Ba Ba2 1.0 1.3199831858514713e-17 0.24078271643719315 0.4804461530913405 1.0000 Cu Cu1 1.0 0.7483671511703496 0.6959907271798849 0.5041072517674146 1.0000 Cu Cu2 1.0 0.2516328488296521 0.6959907271798849 0.5041072517674146 1.0000 Cu Cu3 1.0 0.7516328476791851 0.30400929769196233 0.004107234406342863 1.0000 Cu Cu4 1.0 0.24836715232081488 0.30400929769196233 0.004107234406342863 1.0000 S S1 1.0 0.5000000000000002 0.25846664044570417 0.13885442833731745 1.0000 S S2 1.0 1.3287733352237856e-17 0.7415332902861349 0.6388544651140999 1.0000 S S3 1.0 0.5000000000000007 0.8543052754662596 0.5117837058417358 1.0000 S S4 1.0 1.3823136125935283e-17 0.14569471168018866 0.011783790013433966 1.0000 S S5 1.0 0.8045584576852237 0.6278589777103525 0.1592294500128502 1.0000 S S6 1.0 0.19544154231477895 0.6278589777103525 0.1592294500128502 1.0000 S S7 1.0 0.6954415376676363 0.3721410210438126 0.659229433766031 1.0000 S S8 1.0 0.3045584623323655 0.3721410210438126 0.659229433766031 1.0000