data_global _amcsd_formula_title 'Cl2 Cs I' loop_ _publ_author_name 'Wyckoff R' _journal_name_full 'Journal of the American Chemical Society' _journal_volume 42 _journal_year 1920 _journal_page_first 1100 _journal_page_last 1116 _publ_section_title ; The Crystal Structure of Cesium Dichloro-Iodide _cod_database_code 1010073 ; _database_code_amcsd 0017007 _chemical_formula_sum 'Cs I Cl2' _cell_length_a 4.06 _cell_length_b 4.06 _cell_length_c 4.06 _cell_angle_alpha 98.37 _cell_angle_beta 98.37 _cell_angle_gamma 98.37 _cell_volume 64.548 _exptl_crystal_density_diffrn 8.508 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-z,-y' '-z,-x,-y' 'y,x,z' 'y,z,x' '-z,-y,-x' '-x,-y,-z' 'x,z,y' 'z,x,y' '-y,-x,-z' '-y,-z,-x' 'z,y,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Cs1 0.00000 0.00000 0.00000 I1 0.50000 0.50000 0.50000 Cl1 0.31200 0.31200 0.31200