data_global _chemical_name_mineral 'Woodhouseite' loop_ _publ_author_name 'Pabst A' _journal_name_full 'American Mineralogist' _journal_volume 32 _journal_year 1947 _journal_page_first 16 _journal_page_last 30 _publ_section_title ; Some computations on svanbergite, woodhouseite and alunite ; _database_code_amcsd 0000036 _chemical_formula_sum 'Ca Al3 (S P) O14 H6' _cell_length_a 6.75 _cell_length_b 6.75 _cell_length_c 6.75 _cell_angle_alpha 62.07 _cell_angle_beta 62.07 _cell_angle_gamma 62.07 _cell_volume 227.532 _exptl_crystal_density_diffrn 3.022 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-z,-y' '-z,-x,-y' 'y,x,z' 'y,z,x' '-z,-y,-x' '-x,-y,-z' 'x,z,y' 'z,x,y' '-y,-x,-z' '-y,-z,-x' 'z,y,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca 0.00000 0.00000 0.00000 1.00000 Al 0.50000 0.00000 0.00000 1.00000 S 0.31000 0.31000 0.31000 0.50000 P 0.31000 0.31000 0.31000 0.50000 O1 0.40500 0.40500 0.40500 1.00000 O 0.52000 0.16000 0.16000 1.00000 O-H -0.12000 0.27000 0.27000 1.00000