data_global _chemical_name_mineral 'Pautovite' loop_ _publ_author_name 'Mitchell R H' 'Ross K C' 'Potter E G' _journal_name_full 'Journal of Solid State Chemistry' _journal_volume 177 _journal_year 2004 _journal_page_first 1867 _journal_page_last 1872 _publ_section_title ; Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 ; _database_code_amcsd 0014048 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Cs.5 K.5) Fe2 S3' _cell_length_a 9.3268 _cell_length_b 11.3693 _cell_length_c 5.4592 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 578.889 _exptl_crystal_density_diffrn 3.372 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,-z' 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 Cs 0.50000 0.16760 0.25000 0.50000 0.01773 K 0.50000 0.16760 0.25000 0.50000 0.01773 Fe 0.35130 0.50000 0.00000 1.00000 0.01267 S1 0.50000 0.61870 0.25000 1.00000 0.03166 S2 0.22520 0.38630 0.25000 1.00000 0.03166