data_global _chemical_name_mineral 'Pharmacosiderite' loop_ _publ_author_name 'Zemann J' _journal_name_full 'Experientia' _journal_volume 3 _journal_year 1947 _journal_page_first 452 _journal_page_last 452 _publ_section_title ; Uber die struktur des pharmakosiderits Note: the K atom could not be located ; _database_code_amcsd 0012642 _chemical_formula_sum 'As3 Fe4 O23 H18' _cell_length_a 7.94 _cell_length_b 7.94 _cell_length_c 7.94 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 500.566 _exptl_crystal_density_diffrn 2.768 _symmetry_space_group_name_H-M 'P -4 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' 'x,-z,-y' 'z,-y,-x' 'y,-x,-z' 'x,z,y' 'z,y,x' 'y,x,z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '-x,z,-y' '-z,y,-x' '-y,x,-z' '-x,-z,y' '-z,-y,x' '-y,-x,z' 'z,x,y' 'y,z,x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z As 0.50000 0.00000 0.00000 Fe 0.12500 0.12500 0.12500 O1 0.12500 0.12500 0.37500 O-H2 0.87500 0.87500 0.87500 Wat3 0.00000 0.50000 0.50000 Wat4 0.65300 0.65300 0.65300