data_global _amcsd_formula_title 'Ca0.27 Cu2.969 O7.73 Pb2 Sr1.968 Y0.73' loop_ _publ_author_name 'Chaillout C' 'Chmaissen O' 'Capponi J' 'Fournier T' 'McIntyre G' 'Marezio M' _journal_name_full 'Physica C' _journal_volume 175 _journal_year 1991 _journal_page_first 293 _journal_page_last 300 _publ_section_title ; The structure of superconducting Pb2 Sr2 Y0.73 Ca0.27 Cu3 O8 by single- crystal neutron diffraction _cod_database_code 1008713 ; _database_code_amcsd 0016597 _chemical_formula_sum 'Pb2 Sr1.968 (Ca.27 Y.73) Cu2.969 O7.73' _cell_length_a 5.3835 _cell_length_b 5.4091 _cell_length_c 15.784 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 459.628 _exptl_crystal_density_diffrn 7.044 _symmetry_space_group_name_H-M 'P m 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' '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 _atom_site_occupancy Pb1 0.00000 0.50350 0.38695 1.00000 Sr1 0.00000 -0.00100 0.21959 0.98400 Ca1 0.00000 0.00000 0.00000 0.27000 Y1 0.00000 0.00000 0.00000 0.73000 Cu1 0.00000 0.00000 0.50000 0.98900 Cu2 0.00000 0.50100 0.10597 0.99000 O1 0.00000 0.49550 0.25177 0.96500 O2 0.00000 -0.06300 0.38440 0.90000 O3 0.25000 0.25000 0.09430 1.00000 O4 0.25000 0.25000 -0.09510 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb1 0.02000 0.01300 0.00600 0.00000 0.00000 -0.00200 Sr1 0.01100 0.00700 0.00830 0.00000 0.00000 0.00600 Ca1 0.01300 0.00300 0.00660 0.00000 0.00000 0.00600 Y1 0.01300 0.00300 0.00660 0.00000 0.00000 0.00600 Cu1 0.16000 0.01800 0.00950 0.00000 0.00000 0.00200 Cu2 0.00600 0.01800 0.00840 0.00000 0.00000 0.00300 O1 0.01200 0.01600 0.00660 0.00000 0.00000 0.00400 O2 0.12000 0.01160 0.00600 0.00000 0.00000 -0.00090 O3 0.00900 0.00500 0.01460 0.00200 0.00000 0.00000 O4 0.00900 0.00500 0.01460 0.00200 0.00000 0.00000