data_global _amcsd_formula_title 'Ni O3 Pr' loop_ _publ_author_name 'Huang T' 'Parrish W' 'Toraya H' 'Lacorre P' 'Torrance J' _journal_name_full 'Materials Research Bulletin' _journal_volume 25 _journal_year 1990 _journal_page_first 1091 _journal_page_last 1098 _publ_section_title ; High temperature crystal structures of orthorhombic and rhombohedral PrNiO3 _cod_database_code 1000290 ; _database_code_amcsd 0014348 _chemical_formula_sum 'Pr Ni O3' _cell_length_a 5.4146 _cell_length_b 5.3757 _cell_length_c 7.6199 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 221.794 _exptl_crystal_density_diffrn 7.415 _symmetry_space_group_name_H-M 'P b n m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,y,1/2-z' '-x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-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 Pr1 0.99570 0.02910 0.25000 Ni1 0.50000 0.00000 0.00000 O1 0.06800 0.49260 0.25000 O2 0.71750 0.28440 0.03510