# generated using pymatgen data_Ti8Ni3(B4Ru9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.52653600 _cell_length_b 17.52653600 _cell_length_c 2.97922600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Ni3(B4Ru9)2 _chemical_formula_sum 'Ti16 Ni6 B16 Ru36' _cell_volume 915.15704629 _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 0.53455900 0.68703000 0.00000000 1.0 Ti Ti1 1 0.46544100 0.31297000 0.00000000 1.0 Ti Ti2 1 0.03455900 0.81297000 0.00000000 1.0 Ti Ti3 1 0.96544100 0.18703000 0.00000000 1.0 Ti Ti4 1 0.31297000 0.53455900 0.00000000 1.0 Ti Ti5 1 0.68703000 0.46544100 0.00000000 1.0 Ti Ti6 1 0.18703000 0.03455900 0.00000000 1.0 Ti Ti7 1 0.81297000 0.96544100 0.00000000 1.0 Ti Ti8 1 0.30332800 0.80332800 0.00000000 1.0 Ti Ti9 1 0.69667200 0.19667200 0.00000000 1.0 Ti Ti10 1 0.80332800 0.69667200 0.00000000 1.0 Ti Ti11 1 0.19667200 0.30332800 0.00000000 1.0 Ti Ti12 1 0.67077100 0.82922900 0.00000000 1.0 Ti Ti13 1 0.32922900 0.17077100 0.00000000 1.0 Ti Ti14 1 0.17077100 0.67077100 0.00000000 1.0 Ti Ti15 1 0.82922900 0.32922900 0.00000000 1.0 Ni Ni16 1 0.54956200 0.95043800 0.00000000 1.0 Ni Ni17 1 0.45043800 0.04956200 0.00000000 1.0 Ni Ni18 1 0.04956200 0.54956200 0.00000000 1.0 Ni Ni19 1 0.95043800 0.45043800 0.00000000 1.0 Ni Ni20 1 0.50000000 0.50000000 0.00000000 1.0 Ni Ni21 1 0.00000000 0.00000000 0.00000000 1.0 B B22 1 0.46121900 0.83526500 0.00000000 1.0 B B23 1 0.53878100 0.16473500 0.00000000 1.0 B B24 1 0.96121900 0.66473500 0.00000000 1.0 B B25 1 0.03878100 0.33526500 0.00000000 1.0 B B26 1 0.16473500 0.46121900 0.00000000 1.0 B B27 1 0.83526500 0.53878100 0.00000000 1.0 B B28 1 0.33526500 0.96121900 0.00000000 1.0 B B29 1 0.66473500 0.03878100 0.00000000 1.0 B B30 1 0.37867900 0.66756500 0.00000000 1.0 B B31 1 0.62132100 0.33243500 0.00000000 1.0 B B32 1 0.87867900 0.83243500 0.00000000 1.0 B B33 1 0.12132100 0.16756500 0.00000000 1.0 B B34 1 0.33243500 0.37867900 0.00000000 1.0 B B35 1 0.66756500 0.62132100 0.00000000 1.0 B B36 1 0.16756500 0.87867900 0.00000000 1.0 B B37 1 0.83243500 0.12132100 0.00000000 1.0 Ru Ru38 1 0.41585700 0.91585700 0.50000000 1.0 Ru Ru39 1 0.58414300 0.08414300 0.50000000 1.0 Ru Ru40 1 0.91585700 0.58414300 0.50000000 1.0 Ru Ru41 1 0.08414300 0.41585700 0.50000000 1.0 Ru Ru42 1 0.43122100 0.59523700 0.50000000 1.0 Ru Ru43 1 0.56877900 0.40476300 0.50000000 1.0 Ru Ru44 1 0.93122100 0.90476300 0.50000000 1.0 Ru Ru45 1 0.06877900 0.09523700 0.50000000 1.0 Ru Ru46 1 0.40476300 0.43122100 0.50000000 1.0 Ru Ru47 1 0.59523700 0.56877900 0.50000000 1.0 Ru Ru48 1 0.09523700 0.93122100 0.50000000 1.0 Ru Ru49 1 0.90476300 0.06877900 0.50000000 1.0 Ru Ru50 1 0.41895900 0.75192200 0.50000000 1.0 Ru Ru51 1 0.58104100 0.24807800 0.50000000 1.0 Ru Ru52 1 0.91895900 0.74807800 0.50000000 1.0 Ru Ru53 1 0.08104100 0.25192200 0.50000000 1.0 Ru Ru54 1 0.24807800 0.41895900 0.50000000 1.0 Ru Ru55 1 0.75192200 0.58104100 0.50000000 1.0 Ru Ru56 1 0.25192200 0.91895900 0.50000000 1.0 Ru Ru57 1 0.74807800 0.08104100 0.50000000 1.0 Ru Ru58 1 0.54992700 0.83033000 0.50000000 1.0 Ru Ru59 1 0.45007300 0.16967000 0.50000000 1.0 Ru Ru60 1 0.04992700 0.66967000 0.50000000 1.0 Ru Ru61 1 0.95007300 0.33033000 0.50000000 1.0 Ru Ru62 1 0.16967000 0.54992700 0.50000000 1.0 Ru Ru63 1 0.83033000 0.45007300 0.50000000 1.0 Ru Ru64 1 0.33033000 0.04992700 0.50000000 1.0 Ru Ru65 1 0.66967000 0.95007300 0.50000000 1.0 Ru Ru66 1 0.28864100 0.66718900 0.50000000 1.0 Ru Ru67 1 0.71135900 0.33281100 0.50000000 1.0 Ru Ru68 1 0.78864100 0.83281100 0.50000000 1.0 Ru Ru69 1 0.21135900 0.16718900 0.50000000 1.0 Ru Ru70 1 0.33281100 0.28864100 0.50000000 1.0 Ru Ru71 1 0.66718900 0.71135900 0.50000000 1.0 Ru Ru72 1 0.16718900 0.78864100 0.50000000 1.0 Ru Ru73 1 0.83281100 0.21135900 0.50000000 1.0