data_global _chemical_name_mineral 'Brucite' loop_ _publ_author_name 'Zigan F' 'Rothbauer R' _journal_name_full 'Neues Jahrbuch fur Mineralogie, Monatshefte' _journal_volume 1967 _journal_year 1967 _journal_page_first 137 _journal_page_last 143 _publ_section_title ; Neutronenbeugungsmessungen am Brucit _cod_database_code 1000054 ; _database_code_amcsd 0014731 _chemical_formula_sum 'Mg O2 H2' _cell_length_a 3.142 _cell_length_b 3.142 _cell_length_c 4.766 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 40.747 _exptl_crystal_density_diffrn 2.377 _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 Mg 0.00000 0.00000 0.00000 O 0.33333 0.66667 0.22160 H 0.33333 0.66667 0.43030