data_global _chemical_name_mineral 'Germanite' loop_ _publ_author_name 'Tettenhorst R T' 'Corbato C E' _journal_name_full 'American Mineralogist' _journal_volume 69 _journal_year 1984 _journal_page_first 943 _journal_page_last 947 _publ_section_title ; Crystal structure of germanite, Cu26Ge4Fe4S32, determined by powder X-ray diffraction ; _database_code_amcsd 0000959 _chemical_formula_sum 'Cu13 (Ge2 Fe2) S16' _cell_length_a 10.5862 _cell_length_b 10.5862 _cell_length_c 10.5862 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 1186.370 _exptl_crystal_density_diffrn 4.468 _symmetry_space_group_name_H-M 'P -4 3 n' loop_ _space_group_symop_operation_xyz 'x,y,z' '-z,x,-y' '-y,z,-x' '-x,y,-z' '1/2+x,1/2-z,1/2-y' '1/2+z,1/2-y,1/2-x' '1/2+y,1/2-x,1/2-z' '1/2+x,1/2+z,1/2+y' '1/2+z,1/2+y,1/2+x' '1/2+y,1/2+x,1/2+z' '-z,-x,y' '-y,-z,x' '-x,-y,z' 'z,-x,-y' 'y,-z,-x' 'x,-y,-z' '1/2-x,1/2+z,1/2-y' '1/2-z,1/2+y,1/2-x' '1/2-y,1/2+x,1/2-z' '1/2-x,1/2-z,1/2+y' '1/2-z,1/2-y,1/2+x' '1/2-y,1/2-x,1/2+z' 'z,x,y' 'y,z,x' 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 Cu1 0.00000 0.00000 0.00000 1.00000 0.01520 Cu2 0.25000 0.50000 0.00000 1.00000 0.01520 Cu3 0.25000 0.00000 0.50000 1.00000 0.01520 Cu4 0.25700 0.00000 0.00000 1.00000 0.01520 Ge 0.24000 0.24000 0.24000 0.50000 0.01646 Fe 0.24000 0.24000 0.24000 0.50000 0.01646 S1 0.12100 0.12100 0.12100 1.00000 0.01646 S2 0.37900 0.36400 0.12100 1.00000 0.01646