data_global _chemical_name_mineral 'Calomel' loop_ _publ_author_name 'Havighurst R' _journal_name_full 'American Journal of Science' _journal_volume 10 _journal_year 1925 _journal_page_first 15 _journal_page_last 28 _publ_section_title ; Crystal structure of the mercurous halides _cod_database_code 1011069 ; _database_code_amcsd 0017968 _chemical_formula_sum 'Hg Cl' _cell_length_a 4.47 _cell_length_b 4.47 _cell_length_c 10.89 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 217.592 _exptl_crystal_density_diffrn 7.205 _symmetry_space_group_name_H-M 'I 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' '-y,-x,z' '1/2-y,1/2-x,1/2+z' 'y,x,-z' '1/2+y,1/2+x,1/2-z' 'y,-x,-z' '1/2+y,1/2-x,1/2-z' '-y,x,z' '1/2-y,1/2+x,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' 'y,x,z' '1/2+y,1/2+x,1/2+z' '-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,x,-z' '1/2-y,1/2+x,1/2-z' 'y,-x,z' '1/2+y,1/2-x,1/2+z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Hg1 0.00000 0.00000 0.11000 Cl1 0.00000 0.00000 0.36000