data_global _amcsd_formula_title 'As5 Fe10.77 Ru1.23' loop_ _publ_author_name 'Maaref S' 'Madar R' 'Chaudouet P' 'Fruchart R' 'Senateur J' 'Averbuch-Pouchot M' 'Bacmann M' 'Durif A' 'Wolfers P' _journal_name_full 'Materials Research Bulletin' _journal_volume 18 _journal_year 1983 _journal_page_first 473 _journal_page_last 480 _publ_section_title ; Etude des la structure et des conditions de stabilite d'un nouvel arseniure de fer: Fe12 As5 _cod_database_code 1007265 ; _database_code_amcsd 0015946 _chemical_formula_sum 'Fe10.77 Ru1.23 As5' _cell_length_a 6.8234 _cell_length_b 6.8234 _cell_length_c 16.364 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 659.814 _exptl_crystal_density_diffrn 8.308 _symmetry_space_group_name_H-M 'R 3' 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' '-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 Fe1 0.00000 0.00000 0.23550 1.00000 Fe2 0.00000 0.00000 0.47220 1.00000 Fe3 0.33340 0.43050 0.02040 1.00000 Fe4 0.00000 0.00000 0.85480 0.67000 Ru1 0.00000 0.00000 0.85480 0.33000 Fe5 0.05700 0.41740 0.27240 0.85000 Ru2 0.05700 0.41740 0.27240 0.15000 Fe6 0.75090 0.72360 0.10260 0.85000 Ru3 0.75090 0.72360 0.10260 0.15000 As1 0.00000 0.00000 0.00000 1.00000 As2 0.00000 0.00000 0.70820 1.00000 As3 0.31440 0.33320 0.18740 1.00000