data_global _amcsd_formula_title 'Cu Fe O6 Pb2 Sr2' loop_ _publ_author_name 'Rouillon T' 'Caldes M' 'Genouel R' 'Michel C' 'Hervieu M' 'Raveau B' _journal_name_full 'Journal of Materials Chemistry' _journal_volume 5 _journal_year 1995 _journal_page_first 1163 _journal_page_last 1170 _publ_section_title ; An ordered oxygen deficient K2 Ni F4 structure: Pb2 Sr2 Cu Fe O6 _cod_database_code 1001711 ; _database_code_amcsd 0013076 _chemical_formula_sum 'Cu Pb2 Sr2 Fe O6' _cell_length_a 5.4606 _cell_length_b 5.5228 _cell_length_c 12.2112 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 368.263 _exptl_crystal_density_diffrn 7.260 _symmetry_space_group_name_H-M 'P 2 a n' loop_ _space_group_symop_operation_xyz 'x,y,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 Cu1 0.00000 0.00000 0.00000 Pb1 0.00000 0.50600 0.14450 Sr1 0.00000 -0.00200 0.35670 Fe1 0.50000 0.00000 0.50000 O1 0.10800 -0.09000 0.14500 O2 0.00000 0.50000 0.33200 O3 0.25000 0.25000 0.50000