data_global _amcsd_formula_title 'CaPtO3' loop_ _publ_author_name 'Ohgushi K' 'Matsushita Y' 'Miyajima N' 'Katsuya Y' 'Tanaka M' 'Izumi F' 'Gotou H' 'Ueda Y' 'Yagi T' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 35 _journal_year 2008 _journal_page_first 189 _journal_page_last 195 _publ_section_title ; CaPtO3 as a novel post-perovskite oxide ; _database_code_amcsd 0009131 _chemical_formula_sum 'Ca Pt O3' _cell_length_a 3.12607 _cell_length_b 9.91983 _cell_length_c 7.35059 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 227.942 _exptl_crystal_density_diffrn 8.251 _symmetry_space_group_name_H-M 'C m c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,y,z' '1/2-x,1/2+y,z' 'x,-y,-z' '1/2+x,1/2-y,-z' 'x,y,1/2-z' '1/2+x,1/2+y,1/2-z' '-x,-y,1/2+z' '1/2-x,1/2-y,1/2+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 Ca 0.00000 0.25000 0.25000 Pt 0.00000 0.00000 0.00000 O1 0.50000 0.42530 0.25000 O2 0.50000 0.12300 0.04510