data_global _amcsd_formula_title 'Fe17 N2.92 Pr2' loop_ _publ_author_name 'Isnard O' 'Miraglia S' 'Soubeyroux J' 'Fruchart D' 'Pannetier J' _journal_name_full 'Physical Review' _journal_volume B45 _journal_year 1992 _journal_page_first 2920 _journal_page_last 2926 _publ_section_title ; Neutron powder diffraction study of Pr2Fe17 and Pr2Fe17N2.9 _cod_database_code 1008529 ; _database_code_amcsd 0016422 _chemical_formula_sum 'Pr2 Fe17 N2.919' _cell_length_a 8.775 _cell_length_b 8.775 _cell_length_c 12.641 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 842.959 _exptl_crystal_density_diffrn 7.518 _symmetry_space_group_name_H-M 'R -3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' 'y,x,-z' '2/3+y,1/3+x,1/3-z' '1/3+y,2/3+x,2/3-z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-x,-x+y,-z' '2/3-x,1/3-x+y,1/3-z' '1/3-x,2/3-x+y,2/3-z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' 'x-y,-y,-z' '2/3+x-y,1/3-y,1/3-z' '1/3+x-y,2/3-y,2/3-z' 'y,-x+y,-z' '2/3+y,1/3-x+y,1/3-z' '1/3+y,2/3-x+y,2/3-z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' '-x,-y,-z' '2/3-x,1/3-y,1/3-z' '1/3-x,2/3-y,2/3-z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' 'x-y,x,-z' '2/3+x-y,1/3+x,1/3-z' '1/3+x-y,2/3+x,2/3-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pr1 0.00000 0.00000 0.34690 1.00000 Fe1 0.00000 0.00000 0.09540 1.00000 Fe2 0.50000 0.00000 0.50000 1.00000 Fe3 0.28260 0.00000 0.00000 1.00000 Fe4 0.50590 0.49410 0.15330 1.00000 N1 0.50000 0.00000 0.00000 0.97300