# generated using pymatgen data_Sm3Co29(Si2B5)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15799900 _cell_length_b 11.15799900 _cell_length_c 7.83892000 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Co29(Si2B5)2 _chemical_formula_sum 'Sm6 Co58 Si8 B20' _cell_volume 975.95292179 _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 Sm Sm0 1 0.25000000 0.75000000 0.00000000 1.0 Sm Sm1 1 0.25000000 0.25000000 0.00000000 1.0 Sm Sm2 1 0.75000000 0.75000000 0.00000000 1.0 Sm Sm3 1 0.75000000 0.25000000 0.00000000 1.0 Sm Sm4 1 0.00000000 0.00000000 0.50000000 1.0 Sm Sm5 1 0.50000000 0.50000000 0.50000000 1.0 Co Co6 1 0.33831200 0.67461500 0.33697500 1.0 Co Co7 1 0.27349100 0.00000000 0.52568900 1.0 Co Co8 1 0.50000000 0.77349100 0.52568900 1.0 Co Co9 1 0.50000000 0.22650900 0.52568900 1.0 Co Co10 1 0.83573800 0.50000000 0.97109500 1.0 Co Co11 1 0.00000000 0.66426200 0.97109500 1.0 Co Co12 1 0.00000000 0.33573800 0.97109500 1.0 Co Co13 1 0.16426200 0.50000000 0.97109500 1.0 Co Co14 1 0.66426200 0.00000000 0.02890500 1.0 Co Co15 1 0.33573800 0.00000000 0.02890500 1.0 Co Co16 1 0.50000000 0.83573800 0.02890500 1.0 Co Co17 1 0.50000000 0.16426200 0.02890500 1.0 Co Co18 1 0.88547800 0.38547800 0.25133000 1.0 Co Co19 1 0.88547800 0.61452200 0.25133000 1.0 Co Co20 1 0.11452200 0.38547800 0.25133000 1.0 Co Co21 1 0.11452200 0.61452200 0.25133000 1.0 Co Co22 1 0.61452200 0.88547800 0.74867000 1.0 Co Co23 1 0.38547800 0.11452200 0.74867000 1.0 Co Co24 1 0.38547800 0.88547800 0.74867000 1.0 Co Co25 1 0.61452200 0.11452200 0.74867000 1.0 Co Co26 1 0.89030600 0.39030600 0.69827700 1.0 Co Co27 1 0.89030600 0.60969400 0.69827700 1.0 Co Co28 1 0.10969400 0.39030600 0.69827700 1.0 Co Co29 1 0.10969400 0.60969400 0.69827700 1.0 Co Co30 1 0.60969400 0.89030600 0.30172300 1.0 Co Co31 1 0.39030600 0.10969400 0.30172300 1.0 Co Co32 1 0.39030600 0.89030600 0.30172300 1.0 Co Co33 1 0.60969400 0.10969400 0.30172300 1.0 Co Co34 1 0.33831200 0.32538500 0.33697500 1.0 Co Co35 1 0.82538500 0.16168800 0.33697500 1.0 Co Co36 1 0.17461500 0.83831200 0.33697500 1.0 Co Co37 1 0.66168800 0.67461500 0.33697500 1.0 Co Co38 1 0.16168800 0.82538500 0.66302500 1.0 Co Co39 1 0.83831200 0.17461500 0.66302500 1.0 Co Co40 1 0.32538500 0.33831200 0.66302500 1.0 Co Co41 1 0.61012200 0.50000000 0.88872800 1.0 Co Co42 1 0.16168800 0.17461500 0.66302500 1.0 Co Co43 1 0.67461500 0.33831200 0.66302500 1.0 Co Co44 1 0.32538500 0.66168800 0.66302500 1.0 Co Co45 1 0.83831200 0.82538500 0.66302500 1.0 Co Co46 1 0.72650900 0.00000000 0.52568900 1.0 Co Co47 1 0.00000000 0.88987800 0.88872800 1.0 Co Co48 1 0.17461500 0.16168800 0.33697500 1.0 Co Co49 1 0.82538500 0.83831200 0.33697500 1.0 Co Co50 1 0.00000000 0.11012200 0.88872800 1.0 Co Co51 1 0.38987800 0.50000000 0.88872800 1.0 Co Co52 1 0.50000000 0.00000000 0.53214000 1.0 Co Co53 1 0.00000000 0.50000000 0.46786000 1.0 Co Co54 1 0.11012200 0.00000000 0.11127200 1.0 Co Co55 1 0.22650900 0.50000000 0.47431100 1.0 Co Co56 1 0.00000000 0.27349100 0.47431100 1.0 Co Co57 1 0.00000000 0.72650900 0.47431100 1.0 Co Co58 1 0.77349100 0.50000000 0.47431100 1.0 Co Co59 1 0.50000000 0.61012200 0.11127200 1.0 Co Co60 1 0.50000000 0.38987800 0.11127200 1.0 Co Co61 1 0.88987800 0.00000000 0.11127200 1.0 Co Co62 1 0.67461500 0.66168800 0.66302500 1.0 Co Co63 1 0.66168800 0.32538500 0.33697500 1.0 Si Si64 1 0.50000000 0.68178000 0.82448900 1.0 Si Si65 1 0.31822000 0.50000000 0.17551100 1.0 Si Si66 1 0.00000000 0.18178000 0.17551100 1.0 Si Si67 1 0.00000000 0.81822000 0.17551100 1.0 Si Si68 1 0.68178000 0.50000000 0.17551100 1.0 Si Si69 1 0.18178000 0.00000000 0.82448900 1.0 Si Si70 1 0.81822000 0.00000000 0.82448900 1.0 Si Si71 1 0.50000000 0.31822000 0.82448900 1.0 B B72 1 0.68603900 0.18603900 0.51777700 1.0 B B73 1 0.31396100 0.81396100 0.51777700 1.0 B B74 1 0.31396100 0.18603900 0.51777700 1.0 B B75 1 0.68603900 0.81396100 0.51777700 1.0 B B76 1 0.18603900 0.68603900 0.48222300 1.0 B B77 1 0.18603900 0.31396100 0.48222300 1.0 B B78 1 0.50000000 0.25602100 0.26250100 1.0 B B79 1 0.50000000 0.74397900 0.26250100 1.0 B B80 1 0.24397900 0.00000000 0.26250100 1.0 B B81 1 0.75602100 0.00000000 0.26250100 1.0 B B82 1 0.25602100 0.50000000 0.73749900 1.0 B B83 1 0.00000000 0.24397900 0.73749900 1.0 B B84 1 0.00000000 0.75602100 0.73749900 1.0 B B85 1 0.74397900 0.50000000 0.73749900 1.0 B B86 1 0.50000000 0.00000000 0.14818700 1.0 B B87 1 0.00000000 0.50000000 0.85181300 1.0 B B88 1 0.50000000 0.00000000 0.89298900 1.0 B B89 1 0.00000000 0.50000000 0.10701100 1.0 B B90 1 0.81396100 0.68603900 0.48222300 1.0 B B91 1 0.81396100 0.31396100 0.48222300 1.0