data_global _chemical_name_mineral 'Vaterite' loop_ _publ_author_name 'Kamhi S R' _journal_name_full 'Acta Crystallographica' _journal_volume 16 _journal_year 1963 _journal_page_first 770 _journal_page_last 772 _publ_section_title ; On the structure of vaterite, CaCO3 ; _database_code_amcsd 0009279 _chemical_compound_source 'Synthetic, preferred structure model' _chemical_formula_sum 'Ca C O3' _cell_length_a 4.13 _cell_length_b 4.13 _cell_length_c 8.49 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 125.412 _exptl_crystal_density_diffrn 2.650 _symmetry_space_group_name_H-M 'P 63/m m c' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-x+y,1/2+z' 'x,x-y,1/2-z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' '-y,-x,z' 'y,x,-z' 'y,-x+y,-z' '-y,x-y,z' 'x-y,-y,1/2+z' '-x+y,y,1/2-z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x,x-y,z' '-x,-x+y,-z' 'x-y,x,-z' '-x+y,-x,z' 'y,x,1/2+z' '-y,-x,1/2-z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x+y,y,z' 'x-y,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv Ca 0.00000 0.00000 0.00000 1.00000 0.08612 C 0.29000 0.58000 0.25000 0.33333 0.08612 O1 0.12000 0.24000 0.25000 0.33333 0.08612 O2 0.38000 0.76000 0.12000 0.33333 0.08612