data_global _amcsd_formula_title 'BrN2C4O4' loop_ _publ_author_name 'Barney E' _journal_name_full 'American Mineralogist' _journal_volume 32 _journal_year 1947 _journal_page_first 685 _journal_page_last 685 _publ_section_title ; The structure of diglycine hydrobromide ; _database_code_amcsd 44 _chemical_formula_sum 'C4 N2 Br O4' _cell_length_a 8.21 _cell_length_b 18.42 _cell_length_c 5.4 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_volume 816.632 _exptl_crystal_density_diffrn 1.789 _symmetry_space_group_name_H-M 'P 21 21 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,1/2+y,1/2-z' '1/2+x,1/2-y,-z' '1/2-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z C 0.089 0.38 0.833 C 0.106 0.43 0.12 C 0.423 0.283 0.517 C 0.065 0.172 0.373 N 0.268 0.43 0.158 N 0.145 0.193 0.158 Br 0.178 0.035 0.833 O 0.47 0.112 0.317 O 0.196 0.333 0.842 O 0.475 0.213 0.65 O 0.423 0.283 0.35