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 64 _chemical_formula_sum 'Fe Sb2 S4' _cell_length_a 11.44 _cell_length_b 14.12 _cell_length_c 3.76 _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _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 0.314 0.335 0.25 Sb1 0.145 0.064 0.25 Sb2 0.036 0.385 0.75 S1 0.197 0.272 0.75 S2 0.428 0.186 0.25 S3 0.229 0.494 0.25 S4 0.452 0.405 0.75