data_global _amcsd_formula_title 'Cu2 O5.667 Pr Sr2' loop_ _publ_author_name 'Lucas S' 'Caignaert V' 'Hervieu M' 'Michel C' 'Raveau B' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 29 _journal_year 1992 _journal_page_first 399 _journal_page_last 409 _publ_section_title ; The layered cuprates Sr2-xLn1+xCu2O6-d: a structure built up from the two limit structures Sr2LnCu2O6 and Sr6Ln3Cu6O17 (Ln=Pr,Y) _cod_database_code 1001506 ; _database_code_amcsd 0012554 _chemical_formula_sum 'Pr3 Sr6 Cu6 O17' _cell_length_a 3.7626 _cell_length_b 11.5157 _cell_length_c 20.1199 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 871.775 _exptl_crystal_density_diffrn 6.102 _symmetry_space_group_name_H-M 'I m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,z' '1/2+x,1/2-y,1/2+z' '-x,y,-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,1/2+z' 'x,-y,-z' '1/2+x,1/2-y,1/2-z' 'x,y,-z' '1/2+x,1/2+y,1/2-z' '-x,-y,z' '1/2-x,1/2-y,1/2+z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr1 0.00000 0.00000 0.00000 1.00000 Sr1 0.00000 0.30050 0.00000 0.27000 Pr2 0.00000 0.30050 0.00000 0.73000 Sr2 0.00000 0.00000 0.19680 0.73000 Pr3 0.00000 0.00000 0.19680 0.27000 Sr3 0.00000 0.32290 0.17720 1.00000 Cu1 0.00000 0.00000 0.58810 1.00000 Cu2 0.00000 0.35170 0.60070 1.00000 O1 0.00000 0.16140 0.41520 1.00000 O2 0.00000 0.13610 0.09760 1.00000 O3 0.00000 0.00000 0.68490 1.00000 O4 0.00000 0.34820 0.70120 1.00000 O5 0.00000 0.36680 0.50000 1.00000 O6 0.29500 0.00000 0.50000 0.50000