data_global _chemical_name_mineral 'Mawsonite' loop_ _publ_author_name 'Szymanski J T' _journal_name_full 'The Canadian Mineralogist' _journal_volume 14 _journal_year 1976 _journal_page_first 529 _journal_page_last 535 _publ_section_title ; The crystal structure of mawsonite, Cu6Fe2SnS8 ; _database_code_amcsd 0005128 _chemical_formula_sum 'Sn Cu6 Fe2 S8' _cell_length_a 7.603 _cell_length_b 7.603 _cell_length_c 5.358 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 309.722 _exptl_crystal_density_diffrn 4.655 _symmetry_space_group_name_H-M 'P -4 m 2' loop_ _space_group_symop_operation_xyz 'x,y,z' 'y,x,-z' 'y,-x,-z' 'x,-y,z' '-x,-y,z' '-y,-x,-z' '-y,x,-z' '-x,y,z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Sn 0.00000 0.00000 0.00000 Cu1 0.50000 0.00000 0.00020 Cu2 0.24630 0.24630 0.50000 Fe1 0.50000 0.50000 0.00000 Fe2 0.50000 0.50000 0.50000 S1 0.26150 0.00000 0.25380 S2 0.25970 0.50000 0.24900 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Sn 0.00840 0.00840 0.00910 0.00000 0.00000 0.00000 Cu1 0.01650 0.02470 0.01860 0.00000 0.00000 0.00000 Cu2 0.01650 0.01650 0.01820 -0.00270 0.00120 -0.00120 Fe1 0.01140 0.01140 0.00510 0.00000 0.00000 0.00000 Fe2 0.00830 0.00830 0.00540 0.00000 0.00000 0.00000 S1 0.00950 0.01060 0.01150 0.00000 -0.00260 0.00000 S2 0.00920 0.01320 0.00840 0.00000 -0.00180 0.00000