data_global _amcsd_formula_title 'Ba Co S1.84' loop_ _publ_author_name 'Gelabert M' 'Brese N' 'DiSalvo F' 'Jobic S' 'Deniard P' 'Brec R' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 127 _journal_year 1996 _journal_page_first 211 _journal_page_last 221 _publ_section_title ; Polymorphism and superstructure in Ba Co S2-d _cod_database_code 1005030 ; _database_code_amcsd 0013911 _chemical_formula_sum 'Ba Co S1.84' _cell_length_a 6.4390 _cell_length_b 6.4909 _cell_length_c 8.9379 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 373.559 _exptl_crystal_density_diffrn 4.539 _symmetry_space_group_name_H-M 'C m m a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' '1/2+x,-y,z' '+x,1/2-y,z' '1/2-x,y,-z' '-x,1/2+y,-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' '1/2+x,y,-z' '+x,1/2+y,-z' '1/2-x,-y,z' '-x,1/2-y,z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ba1 0.00000 0.25000 0.19730 1.00000 Co1 0.00000 0.25000 0.58950 1.00000 S1 0.00000 0.25000 0.84330 1.00000 S2 0.25000 0.50000 0.50000 0.84000