data_global _chemical_name_mineral 'Dolomite' loop_ _publ_author_name 'Drits V A' 'McCarty D K' 'Sakharov B' 'Milliken K L' _journal_name_full 'The Canadian Mineralogist' _journal_volume 43 _journal_year 2005 _journal_page_first 1255 _journal_page_last 1290 _publ_section_title ; New insight into structural and compositional variability in some ancient excess-Ca dolomite Sample: M236-116, Phase I ; _database_code_amcsd 0006026 _chemical_compound_source 'Lea County, New Mexico, USA' _chemical_formula_sum 'Ca1.08 Mg.92 C2 O6' _cell_length_a 4.8140 _cell_length_b 4.8140 _cell_length_c 16.0411 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 321.941 _exptl_crystal_density_diffrn 2.873 _symmetry_space_group_name_H-M 'R -3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-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 CaA 0.00000 0.00000 0.00000 1.00000 0.01127 MgB 0.00000 0.00000 0.50000 0.92000 0.01241 CaB 0.00000 0.00000 0.50000 0.08000 0.01241 C 0.00000 0.00000 0.24320 1.00000 ? O 0.25200 -0.03240 0.24400 1.00000 0.01267