data_global _chemical_name_mineral 'Antarcticite' loop_ _publ_author_name 'Leclaire A' 'Borel M' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 33 _journal_year 1977 _journal_page_first 2938 _journal_page_last 2940 _publ_section_title ; Le dichlorure et le dibromure de calcium hexahydrates _cod_database_code 1001770 ; _database_code_amcsd 0009607 _chemical_formula_sum 'Ca Cl2 O6 H12' _cell_length_a 7.876 _cell_length_b 7.876 _cell_length_c 3.954 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 212.412 _exptl_crystal_density_diffrn 1.713 _symmetry_space_group_name_H-M 'P 3 2 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' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ca1 0.00000 0.00000 0.00000 Cl1 0.66667 0.33333 0.42510 O1 -0.21250 0.00000 0.50000 O2 0.31120 0.00000 0.00000 H1 -0.22570 0.11730 0.50780 H2 0.43680 0.10760 0.08070