# generated using pymatgen data_Ti8Mn3(B4Ru9)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 17.60245448 _cell_length_b 17.60245448 _cell_length_c 2.96924600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.32620042 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti8Mn3(B4Ru9)2 _chemical_formula_sum 'Ti16 Mn6 B16 Ru36' _cell_volume 919.99528489 _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 0.69813700 0.30186300 0.00000000 1.0 Ti Ti1 1 0.30186300 0.69813700 0.00000000 1.0 Ti Ti2 1 0.19896800 0.19896800 0.00000000 1.0 Ti Ti3 1 0.80103200 0.80103200 0.00000000 1.0 Ti Ti4 1 0.46569300 0.18545000 0.00000000 1.0 Ti Ti5 1 0.53430700 0.81455000 0.00000000 1.0 Ti Ti6 1 0.96501300 0.31310500 0.00000000 1.0 Ti Ti7 1 0.03498700 0.68689500 0.00000000 1.0 Ti Ti8 1 0.68689500 0.03498700 0.00000000 1.0 Ti Ti9 1 0.31310500 0.96501300 0.00000000 1.0 Ti Ti10 1 0.81455000 0.53430700 0.00000000 1.0 Ti Ti11 1 0.18545000 0.46569300 0.00000000 1.0 Ti Ti12 1 0.82849900 0.17150100 0.00000000 1.0 Ti Ti13 1 0.17150100 0.82849900 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 Mn Mn16 1 0.45279700 0.45279700 0.00000000 1.0 Mn Mn17 1 0.54720300 0.54720300 0.00000000 1.0 Mn Mn18 1 0.95402200 0.04597800 0.00000000 1.0 Mn Mn19 1 0.04597800 0.95402200 0.00000000 1.0 Mn Mn20 1 0.32875100 0.32875100 0.00000000 1.0 Mn Mn21 1 0.67124900 0.67124900 0.00000000 1.0 B B22 1 0.62118200 0.16999600 0.00000000 1.0 B B23 1 0.37881800 0.83000400 0.00000000 1.0 B B24 1 0.12174800 0.33023300 0.00000000 1.0 B B25 1 0.87825200 0.66976700 0.00000000 1.0 B B26 1 0.66976700 0.87825200 0.00000000 1.0 B B27 1 0.33023300 0.12174800 0.00000000 1.0 B B28 1 0.83000400 0.37881800 0.00000000 1.0 B B29 1 0.16999600 0.62118200 0.00000000 1.0 B B30 1 0.53672100 0.33608900 0.00000000 1.0 B B31 1 0.46327900 0.66391100 0.00000000 1.0 B B32 1 0.03656700 0.16402600 0.00000000 1.0 B B33 1 0.96343300 0.83597400 0.00000000 1.0 B B34 1 0.83597400 0.96343300 0.00000000 1.0 B B35 1 0.16402600 0.03656700 0.00000000 1.0 B B36 1 0.66391100 0.46327900 0.00000000 1.0 B B37 1 0.33608900 0.53672100 0.00000000 1.0 Ru Ru38 1 0.57975100 0.42024900 0.50000000 1.0 Ru Ru39 1 0.42024900 0.57975100 0.50000000 1.0 Ru Ru40 1 0.08086200 0.08086200 0.50000000 1.0 Ru Ru41 1 0.91913800 0.91913800 0.50000000 1.0 Ru Ru42 1 0.56907200 0.09764400 0.50000000 1.0 Ru Ru43 1 0.43092800 0.90235600 0.50000000 1.0 Ru Ru44 1 0.07037500 0.40149600 0.50000000 1.0 Ru Ru45 1 0.92962500 0.59850400 0.50000000 1.0 Ru Ru46 1 0.59850400 0.92962500 0.50000000 1.0 Ru Ru47 1 0.40149600 0.07037500 0.50000000 1.0 Ru Ru48 1 0.90235600 0.43092800 0.50000000 1.0 Ru Ru49 1 0.09764400 0.56907200 0.50000000 1.0 Ru Ru50 1 0.44727000 0.33195000 0.50000000 1.0 Ru Ru51 1 0.55273000 0.66805000 0.50000000 1.0 Ru Ru52 1 0.94907000 0.16757900 0.50000000 1.0 Ru Ru53 1 0.05093000 0.83242100 0.50000000 1.0 Ru Ru54 1 0.83242100 0.05093000 0.50000000 1.0 Ru Ru55 1 0.16757900 0.94907000 0.50000000 1.0 Ru Ru56 1 0.66805000 0.55273000 0.50000000 1.0 Ru Ru57 1 0.33195000 0.44727000 0.50000000 1.0 Ru Ru58 1 0.58024600 0.25512900 0.50000000 1.0 Ru Ru59 1 0.41975400 0.74487100 0.50000000 1.0 Ru Ru60 1 0.08355100 0.24507900 0.50000000 1.0 Ru Ru61 1 0.91644900 0.75492100 0.50000000 1.0 Ru Ru62 1 0.75492100 0.91644900 0.50000000 1.0 Ru Ru63 1 0.24507900 0.08355100 0.50000000 1.0 Ru Ru64 1 0.74487100 0.41975400 0.50000000 1.0 Ru Ru65 1 0.25512900 0.58024600 0.50000000 1.0 Ru Ru66 1 0.71038500 0.16756900 0.50000000 1.0 Ru Ru67 1 0.28961500 0.83243100 0.50000000 1.0 Ru Ru68 1 0.21403900 0.33379400 0.50000000 1.0 Ru Ru69 1 0.78596100 0.66620600 0.50000000 1.0 Ru Ru70 1 0.66620600 0.78596100 0.50000000 1.0 Ru Ru71 1 0.33379400 0.21403900 0.50000000 1.0 Ru Ru72 1 0.83243100 0.28961500 0.50000000 1.0 Ru Ru73 1 0.16756900 0.71038500 0.50000000 1.0