# generated using pymatgen data_Ti9Cu2(B4Ru9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.61429500 _cell_length_b 17.61429500 _cell_length_c 2.99495600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti9Cu2(B4Ru9)2 _chemical_formula_sum 'Ti18 Cu4 B16 Ru36' _cell_volume 929.22519651 _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 0.80412200 0.30412200 0.50000000 1.0 Ti Ti1 1 0.19587800 0.69587800 0.50000000 1.0 Ti Ti2 1 0.30412200 0.19587800 0.50000000 1.0 Ti Ti3 1 0.69587800 0.80412200 0.50000000 1.0 Ti Ti4 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.50000000 1.0 Ti Ti6 1 0.68798000 0.53502300 0.50000000 1.0 Ti Ti7 1 0.31202000 0.46497700 0.50000000 1.0 Ti Ti8 1 0.18798000 0.96497700 0.50000000 1.0 Ti Ti9 1 0.81202000 0.03502300 0.50000000 1.0 Ti Ti10 1 0.46497700 0.68798000 0.50000000 1.0 Ti Ti11 1 0.53502300 0.31202000 0.50000000 1.0 Ti Ti12 1 0.03502300 0.18798000 0.50000000 1.0 Ti Ti13 1 0.96497700 0.81202000 0.50000000 1.0 Ti Ti14 1 0.82913200 0.67086800 0.50000000 1.0 Ti Ti15 1 0.17086800 0.32913200 0.50000000 1.0 Ti Ti16 1 0.32913200 0.82913200 0.50000000 1.0 Ti Ti17 1 0.67086800 0.17086800 0.50000000 1.0 Cu Cu18 1 0.95075300 0.54924700 0.50000000 1.0 Cu Cu19 1 0.04924700 0.45075300 0.50000000 1.0 Cu Cu20 1 0.45075300 0.95075300 0.50000000 1.0 Cu Cu21 1 0.54924700 0.04924700 0.50000000 1.0 B B22 1 0.66948400 0.37856100 0.50000000 1.0 B B23 1 0.33051600 0.62143900 0.50000000 1.0 B B24 1 0.16948400 0.12143900 0.50000000 1.0 B B25 1 0.83051600 0.87856100 0.50000000 1.0 B B26 1 0.62143900 0.66948400 0.50000000 1.0 B B27 1 0.37856100 0.33051600 0.50000000 1.0 B B28 1 0.87856100 0.16948400 0.50000000 1.0 B B29 1 0.12143900 0.83051600 0.50000000 1.0 B B30 1 0.83555100 0.46238000 0.50000000 1.0 B B31 1 0.16444900 0.53762000 0.50000000 1.0 B B32 1 0.33555100 0.03762000 0.50000000 1.0 B B33 1 0.66444900 0.96238000 0.50000000 1.0 B B34 1 0.53762000 0.83555100 0.50000000 1.0 B B35 1 0.46238000 0.16444900 0.50000000 1.0 B B36 1 0.96238000 0.33555100 0.50000000 1.0 B B37 1 0.03762000 0.66444900 0.50000000 1.0 Ru Ru38 1 0.75339700 0.41897100 0.00000000 1.0 Ru Ru39 1 0.24660300 0.58102900 0.00000000 1.0 Ru Ru40 1 0.25339700 0.08102900 0.00000000 1.0 Ru Ru41 1 0.74660300 0.91897100 0.00000000 1.0 Ru Ru42 1 0.58102900 0.75339700 0.00000000 1.0 Ru Ru43 1 0.41897100 0.24660300 0.00000000 1.0 Ru Ru44 1 0.91897100 0.25339700 0.00000000 1.0 Ru Ru45 1 0.08102900 0.74660300 0.00000000 1.0 Ru Ru46 1 0.91540500 0.41540500 0.00000000 1.0 Ru Ru47 1 0.08459500 0.58459500 0.00000000 1.0 Ru Ru48 1 0.41540500 0.08459500 0.00000000 1.0 Ru Ru49 1 0.58459500 0.91540500 0.00000000 1.0 Ru Ru50 1 0.82663100 0.55144600 0.00000000 1.0 Ru Ru51 1 0.17336900 0.44855400 0.00000000 1.0 Ru Ru52 1 0.32663100 0.94855400 0.00000000 1.0 Ru Ru53 1 0.67336900 0.05144600 0.00000000 1.0 Ru Ru54 1 0.44855400 0.82663100 0.00000000 1.0 Ru Ru55 1 0.55144600 0.17336900 0.00000000 1.0 Ru Ru56 1 0.05144600 0.32663100 0.00000000 1.0 Ru Ru57 1 0.94855400 0.67336900 0.00000000 1.0 Ru Ru58 1 0.66902200 0.28896600 0.00000000 1.0 Ru Ru59 1 0.33097800 0.71103400 0.00000000 1.0 Ru Ru60 1 0.16902200 0.21103400 0.00000000 1.0 Ru Ru61 1 0.83097800 0.78896600 0.00000000 1.0 Ru Ru62 1 0.71103400 0.66902200 0.00000000 1.0 Ru Ru63 1 0.28896600 0.33097800 0.00000000 1.0 Ru Ru64 1 0.78896600 0.16902200 0.00000000 1.0 Ru Ru65 1 0.21103400 0.83097800 0.00000000 1.0 Ru Ru66 1 0.59737500 0.42998200 0.00000000 1.0 Ru Ru67 1 0.40262500 0.57001800 0.00000000 1.0 Ru Ru68 1 0.09737500 0.07001800 0.00000000 1.0 Ru Ru69 1 0.90262500 0.92998200 0.00000000 1.0 Ru Ru70 1 0.57001800 0.59737500 0.00000000 1.0 Ru Ru71 1 0.42998200 0.40262500 0.00000000 1.0 Ru Ru72 1 0.92998200 0.09737500 0.00000000 1.0 Ru Ru73 1 0.07001800 0.90262500 0.00000000 1.0