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 1001710 ; _database_code_amcsd 0013075 _chemical_formula_sum 'Cu Pb2 Sr2 Fe O6' _cell_length_a 5.4604 _cell_length_b 5.5227 _cell_length_c 12.2112 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 368.243 _exptl_crystal_density_diffrn 7.260 _symmetry_space_group_name_H-M 'C m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2-x,1/2-y,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 Cu1 0.00000 0.00000 0.00000 1.00000 Pb1 0.00000 0.50000 0.14460 1.00000 Sr1 0.00000 0.00000 0.35690 1.00000 Fe1 0.50000 0.00000 0.50000 1.00000 O1 0.09600 0.07900 0.14700 0.25000 O2 0.00000 0.50000 0.33200 1.00000 O3 0.25000 0.25000 0.50000 1.00000