data_global _chemical_name_mineral 'Rhodochrosite' loop_ _publ_author_name 'Wyckoff R' _journal_name_full 'American Journal of Science' _journal_volume 50 _journal_year 1920 _journal_page_first 317 _journal_page_last 360 _publ_section_title ; The crystal structures of some carbonates of the calcite group _cod_database_code 1011228 ; _database_code_amcsd 0018095 _chemical_formula_sum 'Mn C O3' _cell_length_a 5.84 _cell_length_b 5.84 _cell_length_c 5.84 _cell_angle_alpha 47.77 _cell_angle_beta 47.77 _cell_angle_gamma 47.77 _cell_volume 99.993 _exptl_crystal_density_diffrn 3.818 _symmetry_space_group_name_H-M 'R 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+z,1/2+y' 'z,x,y' '1/2+y,1/2+x,1/2+z' 'y,z,x' '1/2+z,1/2+y,1/2+x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Mn1 0.25000 0.25000 0.25000 C1 0.00000 0.00000 0.00000 O1 0.27000 -0.27000 0.00000