data_global _amcsd_formula_title 'YBa2(Cu.95Fe.05)3O7' loop_ _publ_author_name 'Roth G' 'Heger G' 'Renker B' 'Pannetier J' 'Caignaert V' 'Hervieu M' 'Raveau B' _journal_name_full 'Physica C' _journal_volume 153 _journal_year 1988 _journal_page_first 972 _journal_page_last 973 _publ_section_title ; Crystallographic study of the tetragonal high-Tc superconductor YBa2(Cu.95Fe.05)3O7 _cod_database_code 1001377 ; _database_code_amcsd 0015010 _chemical_formula_sum 'Y Ba2 Cu2.98 O6.92' _cell_length_a 3.863 _cell_length_b 3.863 _cell_length_c 11.626 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 173.492 _exptl_crystal_density_diffrn 6.352 _symmetry_space_group_name_H-M 'P 4/m m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,-x,z' 'y,x,-z' 'y,-x,-z' '-y,x,z' 'x,-y,z' '-x,y,-z' 'x,y,-z' '-x,-y,z' 'y,x,z' '-y,-x,-z' '-y,x,-z' 'y,-x,z' '-x,y,z' 'x,-y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Y1 0.50000 0.50000 0.50000 1.00000 Ba1 0.50000 0.50000 0.18610 1.00000 Cu1 0.00000 0.00000 0.00000 0.98000 Cu2 0.00000 0.00000 0.35740 1.00000 O1 0.00000 0.50000 0.00000 0.50000 O2 0.50000 0.00000 0.37820 1.00000 O3 0.00000 0.00000 0.15730 0.96000