data_global _amcsd_formula_title 'Br2Ni' loop_ _publ_author_name 'Ketelaar J' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 88 _journal_year 1934 _journal_page_first 26 _journal_page_last 34 _publ_section_title ; Die Kristallstruktur des Nickelbromids und -jodids _cod_database_code 1010055 ; _database_code_amcsd 0016991 _chemical_formula_sum 'Ni.333 Br.666' _cell_length_a 2.110 _cell_length_b 2.110 _cell_length_c 6.08 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 23.442 _exptl_crystal_density_diffrn 5.154 _symmetry_space_group_name_H-M 'P 6/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,-z' 'x-y,x,z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,-z' '-x,-y,z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,-z' 'y,-x+y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ni1 0.00000 0.00000 0.00000 0.33300 Br1 0.00000 0.00000 0.25800 0.33300