data_global _chemical_name_mineral 'Alforsite' loop_ _publ_author_name 'Hata M' 'Marumo F' 'Iwai S' 'Aoki H' _journal_name_full 'Acta Crystallographica, Section B' _journal_volume 35 _journal_year 1979 _journal_page_first 2382 _journal_page_last 2384 _publ_section_title ; Structure of barium chlorapatite ; _database_code_amcsd 0009691 _chemical_formula_sum 'Ba5 P3 O12 Cl' _cell_length_a 10.284 _cell_length_b 10.284 _cell_length_c 7.651 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 700.766 _exptl_crystal_density_diffrn 4.772 _symmetry_space_group_name_H-M 'P 63/m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x+y,-x,1/2-z' 'x-y,x,1/2+z' 'y,-x+y,-z' '-y,x-y,z' 'x,y,1/2-z' '-x,-y,1/2+z' 'x-y,x,-z' '-x+y,-x,z' '-y,x-y,1/2-z' 'y,-x+y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ba1 0.33333 0.66667 0.00070 0.00925 Ba2 0.24490 0.26060 0.25000 0.00874 P 0.40640 0.03460 0.25000 0.00633 O1 0.34320 -0.13740 0.25000 0.01583 O2 0.57900 0.11570 0.25000 0.01545 O3 0.35680 0.08580 0.08740 0.01558 Cl 0.00000 0.00000 0.00000 0.01229