data_global _chemical_name_mineral 'Berthierite' loop_ _publ_author_name 'Buerger M J' 'Hahn T' _journal_name_full 'American Mineralogist' _journal_volume 39 _journal_year 1954 _journal_page_first 319 _journal_page_last 319 _publ_section_title ; The crystal structure of berthierite, FeSb2S4 ; _database_code_amcsd 0000064 _chemical_formula_sum 'Fe Sb2 S4' _cell_length_a 11.44 _cell_length_b 14.12 _cell_length_c 3.76 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 607.363 _exptl_crystal_density_diffrn 4.676 _symmetry_space_group_name_H-M 'P n a m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Fe 0.31400 0.33500 0.25000 Sb1 0.14500 0.06400 0.25000 Sb2 0.03600 0.38500 0.75000 S1 0.19700 0.27200 0.75000 S2 0.42800 0.18600 0.25000 S3 0.22900 0.49400 0.25000 S4 0.45200 0.40500 0.75000