data_global _amcsd_formula_title 'Ni O4 Pr2' loop_ _publ_author_name 'Fernandez-Diaz M' 'Martinez J' 'Rodriguez-Carvajal J' 'Beille J' 'Martinez B' 'Obradors X' 'Odier P' _journal_name_full 'Physical Review B - Condensed Matter' _journal_volume 47 _journal_year 1993 _journal_page_first 5834 _journal_page_last 5840 _publ_section_title ; Metamagnetism in single-crystal Pr2NiO4 _cod_database_code 1006058 ; _database_code_amcsd 0015286 _chemical_formula_sum 'Pr2 Ni O4' _cell_length_a 5.49 _cell_length_b 5.49 _cell_length_c 12.17 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 366.805 _exptl_crystal_density_diffrn 7.325 _symmetry_space_group_name_H-M 'P 42/n c m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,1/2-z' '1/2-y,x,1/2+z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,1/2-z' 'y,1/2-x,1/2+z' '1/2-x,y,1/2+z' '1/2+x,-y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Pr1 -0.01290 -0.01290 0.36340 Ni1 0.00000 0.00000 0.00000 O1 0.25000 0.25000 -0.02810 O2 0.75000 0.25000 0.00000 O3 0.04970 0.04970 0.17835