data_global _amcsd_formula_title 'Fe17 Th2' loop_ _publ_author_name 'Isnard O' 'Soubeyroux J' 'Fruchart D' 'Jacobs T' 'Buschow K' _journal_name_full 'Journal of Alloys and Compounds' _journal_volume 186 _journal_year 1992 _journal_page_first 135 _journal_page_last 145 _publ_section_title ; Structural and magnetic behaviour of the series Th2Fe17Cx (x=0 to 1.25) _cod_database_code 1008580 ; _database_code_amcsd 0016471 _chemical_formula_sum 'Th2 Fe17 C.624' _cell_length_a 8.643 _cell_length_b 8.643 _cell_length_c 12.516 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 809.702 _exptl_crystal_density_diffrn 8.742 _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 Th1 0.00000 0.00000 0.34300 1.00000 Fe1 0.00000 0.00000 0.09530 1.00000 Fe2 0.50000 0.00000 0.50000 1.00000 Fe3 0.28440 0.00000 0.00000 1.00000 Fe4 0.50180 0.49820 0.15620 1.00000 C1 0.50000 0.00000 0.00000 0.20800