data_global _amcsd_formula_title 'Ba S3' loop_ _publ_author_name 'Miller W' 'King A' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 94 _journal_year 1936 _journal_page_first 439 _journal_page_last 446 _publ_section_title ; The Structure of Polysulfides: I. Barium Trisulfide _cod_database_code 1010269 ; _database_code_amcsd 0017195 _chemical_formula_sum 'Ba S3' _cell_length_a 8.32 _cell_length_b 9.64 _cell_length_c 4.82 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 386.587 _exptl_crystal_density_diffrn 4.012 _symmetry_space_group_name_H-M 'P 21 21 2' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2-y,-z' '-x,-y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ba1 0.00000 0.00000 0.00000 Ba2 0.00000 0.50000 0.00000 S1 0.25000 0.25000 0.00000 S2 0.25000 0.50000 0.50000 S3 0.12400 0.30900 0.38200