# generated using pymatgen data_Ti8Cr3(B4Ru9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.62613187 _cell_length_b 17.62613187 _cell_length_c 2.97487600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.16787567 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Cr3(B4Ru9)2 _chemical_formula_sum 'Ti16 Cr6 B16 Ru36' _cell_volume 924.23206989 _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 0.69818000 0.30182000 0.00000000 1.0 Ti Ti1 1 0.30182000 0.69818000 0.00000000 1.0 Ti Ti2 1 0.19763400 0.19763400 0.00000000 1.0 Ti Ti3 1 0.80236600 0.80236600 0.00000000 1.0 Ti Ti4 1 0.46539800 0.18635100 0.00000000 1.0 Ti Ti5 1 0.53460200 0.81364900 0.00000000 1.0 Ti Ti6 1 0.96461200 0.31255400 0.00000000 1.0 Ti Ti7 1 0.03538800 0.68744600 0.00000000 1.0 Ti Ti8 1 0.68744600 0.03538800 0.00000000 1.0 Ti Ti9 1 0.31255400 0.96461200 0.00000000 1.0 Ti Ti10 1 0.81364900 0.53460200 0.00000000 1.0 Ti Ti11 1 0.18635100 0.46539800 0.00000000 1.0 Ti Ti12 1 0.82873000 0.17127000 0.00000000 1.0 Ti Ti13 1 0.17127000 0.82873000 0.00000000 1.0 Ti Ti14 1 0.50000000 0.00000000 0.00000000 1.0 Ti Ti15 1 0.00000000 0.50000000 0.00000000 1.0 Cr Cr16 1 0.45362400 0.45362400 0.00000000 1.0 Cr Cr17 1 0.54637600 0.54637600 0.00000000 1.0 Cr Cr18 1 0.95383300 0.04616700 0.00000000 1.0 Cr Cr19 1 0.04616700 0.95383300 0.00000000 1.0 Cr Cr20 1 0.32806900 0.32806900 0.00000000 1.0 Cr Cr21 1 0.67193100 0.67193100 0.00000000 1.0 B B22 1 0.53707000 0.33519400 0.00000000 1.0 B B23 1 0.46293000 0.66480600 0.00000000 1.0 B B24 1 0.03729800 0.16516100 0.00000000 1.0 B B25 1 0.96270200 0.83483900 0.00000000 1.0 B B26 1 0.83483900 0.96270200 0.00000000 1.0 B B27 1 0.16516100 0.03729800 0.00000000 1.0 B B28 1 0.66480600 0.46293000 0.00000000 1.0 B B29 1 0.33519400 0.53707000 0.00000000 1.0 B B30 1 0.62163700 0.16997500 0.00000000 1.0 B B31 1 0.37836300 0.83002500 0.00000000 1.0 B B32 1 0.12142700 0.33018500 0.00000000 1.0 B B33 1 0.87857300 0.66981500 0.00000000 1.0 B B34 1 0.66981500 0.87857300 0.00000000 1.0 B B35 1 0.33018500 0.12142700 0.00000000 1.0 B B36 1 0.83002500 0.37836300 0.00000000 1.0 B B37 1 0.16997500 0.62163700 0.00000000 1.0 Ru Ru38 1 0.44679800 0.33216500 0.50000000 1.0 Ru Ru39 1 0.55320200 0.66783500 0.50000000 1.0 Ru Ru40 1 0.94933300 0.16884400 0.50000000 1.0 Ru Ru41 1 0.05066700 0.83115600 0.50000000 1.0 Ru Ru42 1 0.83115600 0.05066700 0.50000000 1.0 Ru Ru43 1 0.16884400 0.94933300 0.50000000 1.0 Ru Ru44 1 0.66783500 0.55320200 0.50000000 1.0 Ru Ru45 1 0.33216500 0.44679800 0.50000000 1.0 Ru Ru46 1 0.56946200 0.09802700 0.50000000 1.0 Ru Ru47 1 0.43053800 0.90197300 0.50000000 1.0 Ru Ru48 1 0.07046700 0.40157800 0.50000000 1.0 Ru Ru49 1 0.92953300 0.59842200 0.50000000 1.0 Ru Ru50 1 0.59842200 0.92953300 0.50000000 1.0 Ru Ru51 1 0.40157800 0.07046700 0.50000000 1.0 Ru Ru52 1 0.90197300 0.43053800 0.50000000 1.0 Ru Ru53 1 0.09802700 0.56946200 0.50000000 1.0 Ru Ru54 1 0.58020800 0.25493200 0.50000000 1.0 Ru Ru55 1 0.41979200 0.74506800 0.50000000 1.0 Ru Ru56 1 0.08292200 0.24598400 0.50000000 1.0 Ru Ru57 1 0.91707800 0.75401600 0.50000000 1.0 Ru Ru58 1 0.75401600 0.91707800 0.50000000 1.0 Ru Ru59 1 0.24598400 0.08292200 0.50000000 1.0 Ru Ru60 1 0.74506800 0.41979200 0.50000000 1.0 Ru Ru61 1 0.25493200 0.58020800 0.50000000 1.0 Ru Ru62 1 0.71101800 0.16728800 0.50000000 1.0 Ru Ru63 1 0.28898200 0.83271200 0.50000000 1.0 Ru Ru64 1 0.21424900 0.33331600 0.50000000 1.0 Ru Ru65 1 0.78575100 0.66668400 0.50000000 1.0 Ru Ru66 1 0.66668400 0.78575100 0.50000000 1.0 Ru Ru67 1 0.33331600 0.21424900 0.50000000 1.0 Ru Ru68 1 0.83271200 0.28898200 0.50000000 1.0 Ru Ru69 1 0.16728800 0.71101800 0.50000000 1.0 Ru Ru70 1 0.58190800 0.41809200 0.50000000 1.0 Ru Ru71 1 0.41809200 0.58190800 0.50000000 1.0 Ru Ru72 1 0.08307100 0.08307100 0.50000000 1.0 Ru Ru73 1 0.91692900 0.91692900 0.50000000 1.0