data_global _chemical_name_mineral 'Berthierite' loop_ _publ_author_name 'Buerger M J' _journal_name_full 'American Mineralogist' _journal_volume 21 _journal_year 1936 _journal_page_first 205 _journal_page_last 206 _publ_section_title ; The crystal structure of berthierite ; _database_code_amcsd 0000014 _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 0.06250 0.25000 0.25000 Sb1 0.18750 0.87500 0.25000 Sb2 0.18750 0.62500 0.25000 S1 0.06250 0.00000 0.25000 S2 0.18750 0.12500 0.25000 S3 0.18750 0.37500 0.25000 S4 0.06250 0.75000 0.25000