data_global _chemical_name_mineral 'Groutite' loop_ _publ_author_name 'Wyckoff R W G' _journal_name_full 'Crystal Structures' _journal_volume 1 _journal_year 1963 _journal_page_first 290 _journal_page_last 295 _publ_section_title ; Second edition. Interscience Publishers, New York, New York ; _database_code_amcsd 0011832 _chemical_formula_sum 'Mn (O2 H)' _cell_length_a 4.56 _cell_length_b 10.70 _cell_length_c 2.85 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 139.057 _exptl_crystal_density_diffrn 4.201 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn -0.03600 0.14000 0.25000 O-H1 0.27000 -0.20000 0.25000 O2 -0.21000 -0.05000 0.25000