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 0014045 _chemical_compound_source 'Synthetic' _chemical_formula_sum '(Cs.5 Rb.5) Fe2 S3' _cell_length_a 9.4144 _cell_length_b 11.4632 _cell_length_c 5.4691 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 590.221 _exptl_crystal_density_diffrn 3.568 _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 0.16740 0.25000 0.50000 0.01406 Rb 0.50000 0.16740 0.25000 0.50000 0.01406 Fe 0.35630 0.50000 0.00000 1.00000 0.02064 S1 0.50000 0.61900 0.25000 1.00000 0.01773 S2 0.22340 0.38920 0.25000 1.00000 0.01773