data_global _chemical_name_mineral 'Fluorapatite' loop_ _publ_author_name 'Hughes J M' 'Cameron M' 'Crowley K D' _journal_name_full 'American Mineralogist' _journal_volume 76 _journal_year 1991 _journal_page_first 1857 _journal_page_last 1862 _publ_section_title ; Ordering of divalent cations in the apatite structure: Crystal structure refinements of natural Mn- and Sr-bearing apatite sample Sr.29 ; _database_code_amcsd 0001422 _chemical_formula_sum '(Ca4.852 Sr.148) P3 O12 F.89' _cell_length_a 9.3786 _cell_length_b 9.3786 _cell_length_c 6.8922 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 525.006 _exptl_crystal_density_diffrn 3.221 _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_occupancy _atom_site_U_iso_or_equiv Ca1 0.66667 0.33333 0.00092 0.99800 0.00927 Sr1 0.66667 0.33333 0.00092 0.00200 0.00927 Ca2 -0.00788 0.24114 0.25000 0.95200 0.00849 Sr2 -0.00788 0.24114 0.25000 0.04800 0.00849 P 0.36899 0.39827 0.25000 1.00000 0.00646 O1 0.48520 0.32720 0.25000 1.00000 0.01140 O2 0.46700 0.58790 0.25000 1.00000 0.01241 O3 0.25737 0.34180 0.07060 1.00000 0.01469 F 0.00000 0.00000 0.25000 0.89000 0.02444