data_global _amcsd_formula_title 'FeBr2' loop_ _publ_author_name 'Wyckoff R W G' _journal_name_full 'Crystal Structures' _journal_volume 1 _journal_year 1963 _journal_page_first 239 _journal_page_last 444 _publ_section_title ; Second edition. Interscience Publishers, New York, New York Note: cadmium iodide structure ; _database_code_amcsd 0011781 _chemical_formula_sum 'Fe Br2' _cell_length_a 3.74 _cell_length_b 3.74 _cell_length_c 6.17 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 74.741 _exptl_crystal_density_diffrn 4.791 _symmetry_space_group_name_H-M 'P -3 m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,-x+y,-z' '-x,-x+y,-z' '-x+y,-x,z' '-x+y,y,z' '-x,-y,-z' 'y,x,-z' '-y,x-y,z' 'x,x-y,z' 'x-y,x,-z' 'x-y,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.00000 0.00000 0.00000 Br 0.33333 0.66667 0.25000