# generated using pymatgen data_Ti9Fe2(B4Ru9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.59578300 _cell_length_b 17.59578300 _cell_length_c 2.99699200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9Fe2(B4Ru9)2 _chemical_formula_sum 'Ti18 Fe4 B16 Ru36' _cell_volume 927.90342652 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ti Ti0 1 0.18801800 0.96423600 0.50000000 1.0 Ti Ti1 1 0.96423600 0.81198200 0.50000000 1.0 Ti Ti2 1 0.80409800 0.30409800 0.50000000 1.0 Ti Ti3 1 0.30409800 0.19590200 0.50000000 1.0 Ti Ti4 1 0.31198200 0.46423600 0.50000000 1.0 Ti Ti5 1 0.03576400 0.18801800 0.50000000 1.0 Ti Ti6 1 0.19590200 0.69590200 0.50000000 1.0 Ti Ti7 1 0.69590200 0.80409800 0.50000000 1.0 Ti Ti8 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti9 1 0.68801800 0.53576400 0.50000000 1.0 Ti Ti10 1 0.82841100 0.67158900 0.50000000 1.0 Ti Ti11 1 0.32841100 0.82841100 0.50000000 1.0 Ti Ti12 1 0.67158900 0.17158900 0.50000000 1.0 Ti Ti13 1 0.46423600 0.68801800 0.50000000 1.0 Ti Ti14 1 0.81198200 0.03576400 0.50000000 1.0 Ti Ti15 1 0.53576400 0.31198200 0.50000000 1.0 Ti Ti16 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti17 1 0.17158900 0.32841100 0.50000000 1.0 Fe Fe18 1 0.95188400 0.54811600 0.50000000 1.0 Fe Fe19 1 0.54811600 0.04811600 0.50000000 1.0 Fe Fe20 1 0.04811600 0.45188400 0.50000000 1.0 Fe Fe21 1 0.45188400 0.95188400 0.50000000 1.0 B B22 1 0.33531500 0.03716900 0.50000000 1.0 B B23 1 0.83531500 0.46283100 0.50000000 1.0 B B24 1 0.62103300 0.66951700 0.50000000 1.0 B B25 1 0.66468500 0.96283100 0.50000000 1.0 B B26 1 0.66951700 0.37896700 0.50000000 1.0 B B27 1 0.83048300 0.87896700 0.50000000 1.0 B B28 1 0.96283100 0.33531500 0.50000000 1.0 B B29 1 0.87896700 0.16951700 0.50000000 1.0 B B30 1 0.12103300 0.83048300 0.50000000 1.0 B B31 1 0.37896700 0.33048300 0.50000000 1.0 B B32 1 0.53716900 0.83531500 0.50000000 1.0 B B33 1 0.16951700 0.12103300 0.50000000 1.0 B B34 1 0.46283100 0.16468500 0.50000000 1.0 B B35 1 0.33048300 0.62103300 0.50000000 1.0 B B36 1 0.16468500 0.53716900 0.50000000 1.0 B B37 1 0.03716900 0.66468500 0.50000000 1.0 Ru Ru38 1 0.32987200 0.94842300 0.00000000 1.0 Ru Ru39 1 0.83125700 0.78928700 0.00000000 1.0 Ru Ru40 1 0.43076900 0.40207000 0.00000000 1.0 Ru Ru41 1 0.06923100 0.90207000 0.00000000 1.0 Ru Ru42 1 0.17012800 0.44842300 0.00000000 1.0 Ru Ru43 1 0.67012800 0.05157700 0.00000000 1.0 Ru Ru44 1 0.78928700 0.16874300 0.00000000 1.0 Ru Ru45 1 0.44842300 0.82987200 0.00000000 1.0 Ru Ru46 1 0.58050200 0.75421000 0.00000000 1.0 Ru Ru47 1 0.25421000 0.08050200 0.00000000 1.0 Ru Ru48 1 0.93076900 0.09793000 0.00000000 1.0 Ru Ru49 1 0.90207000 0.93076900 0.00000000 1.0 Ru Ru50 1 0.33125700 0.71071300 0.00000000 1.0 Ru Ru51 1 0.94842300 0.67012800 0.00000000 1.0 Ru Ru52 1 0.41732800 0.08267200 0.00000000 1.0 Ru Ru53 1 0.09793000 0.06923100 0.00000000 1.0 Ru Ru54 1 0.82987200 0.55157700 0.00000000 1.0 Ru Ru55 1 0.55157700 0.17012800 0.00000000 1.0 Ru Ru56 1 0.74579000 0.91949800 0.00000000 1.0 Ru Ru57 1 0.08267200 0.58267200 0.00000000 1.0 Ru Ru58 1 0.08050200 0.74579000 0.00000000 1.0 Ru Ru59 1 0.91732800 0.41732800 0.00000000 1.0 Ru Ru60 1 0.41949800 0.24579000 0.00000000 1.0 Ru Ru61 1 0.75421000 0.41949800 0.00000000 1.0 Ru Ru62 1 0.91949800 0.25421000 0.00000000 1.0 Ru Ru63 1 0.21071300 0.83125700 0.00000000 1.0 Ru Ru64 1 0.28928700 0.33125700 0.00000000 1.0 Ru Ru65 1 0.16874300 0.21071300 0.00000000 1.0 Ru Ru66 1 0.40207000 0.56923100 0.00000000 1.0 Ru Ru67 1 0.71071300 0.66874300 0.00000000 1.0 Ru Ru68 1 0.59793000 0.43076900 0.00000000 1.0 Ru Ru69 1 0.56923100 0.59793000 0.00000000 1.0 Ru Ru70 1 0.24579000 0.58050200 0.00000000 1.0 Ru Ru71 1 0.66874300 0.28928700 0.00000000 1.0 Ru Ru72 1 0.58267200 0.91732800 0.00000000 1.0 Ru Ru73 1 0.05157700 0.32987200 0.00000000 1.0