# generated using pymatgen data_Sm11(CoB)40 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.03927300 _cell_length_b 7.03927300 _cell_length_c 38.62572300 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm11(CoB)40 _chemical_formula_sum 'Sm22 Co80 B80' _cell_volume 1913.95727437 _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 0.00000000 0.00000000 0.68251300 1.0 Sm Sm1 1 0.50000000 0.50000000 0.27296000 1.0 Sm Sm2 1 0.00000000 0.00000000 0.77296000 1.0 Sm Sm3 1 0.00000000 0.00000000 0.40874400 1.0 Sm Sm4 1 0.50000000 0.50000000 0.72704000 1.0 Sm Sm5 1 0.50000000 0.50000000 0.45451900 1.0 Sm Sm6 1 0.50000000 0.50000000 0.18251300 1.0 Sm Sm7 1 0.00000000 0.00000000 0.13647500 1.0 Sm Sm8 1 0.00000000 0.00000000 0.50000000 1.0 Sm Sm9 1 0.50000000 0.50000000 0.81748700 1.0 Sm Sm10 1 0.00000000 0.00000000 0.22704000 1.0 Sm Sm11 1 0.50000000 0.50000000 0.09125600 1.0 Sm Sm12 1 0.50000000 0.50000000 0.90874400 1.0 Sm Sm13 1 0.50000000 0.50000000 0.36352500 1.0 Sm Sm14 1 0.00000000 0.00000000 0.95451900 1.0 Sm Sm15 1 0.00000000 0.00000000 0.31748700 1.0 Sm Sm16 1 0.00000000 0.00000000 0.86352500 1.0 Sm Sm17 1 0.50000000 0.50000000 0.63647500 1.0 Sm Sm18 1 0.50000000 0.50000000 0.54548100 1.0 Sm Sm19 1 0.00000000 0.00000000 0.04548100 1.0 Sm Sm20 1 0.00000000 0.00000000 0.59125600 1.0 Sm Sm21 1 0.50000000 0.50000000 0.00000000 1.0 Co Co22 1 0.11942700 0.63576300 0.43980500 1.0 Co Co23 1 0.38354000 0.85365000 0.41113500 1.0 Co Co24 1 0.35675800 0.88295900 0.81223900 1.0 Co Co25 1 0.85675800 0.61704100 0.68776100 1.0 Co Co26 1 0.12548300 0.62804800 0.83864900 1.0 Co Co27 1 0.14635000 0.38354000 0.58886600 1.0 Co Co28 1 0.86964600 0.62313500 0.38934800 1.0 Co Co29 1 0.36423700 0.11942700 0.56019500 1.0 Co Co30 1 0.64051800 0.11738300 0.01018800 1.0 Co Co31 1 0.61646000 0.14635000 0.41113500 1.0 Co Co32 1 0.11646000 0.35365000 0.08886500 1.0 Co Co33 1 0.13347500 0.37852500 0.78806900 1.0 Co Co34 1 0.87195200 0.37451700 0.33864900 1.0 Co Co35 1 0.88076700 0.36112700 0.73778600 1.0 Co Co36 1 0.87852500 0.63347500 0.28806900 1.0 Co Co37 1 0.36112700 0.11923300 0.26221400 1.0 Co Co38 1 0.85566200 0.38352300 0.03942400 1.0 Co Co39 1 0.38057300 0.13576300 0.06019500 1.0 Co Co40 1 0.11738300 0.35948200 0.98981200 1.0 Co Co41 1 0.61616500 0.85349900 0.86181000 1.0 Co Co42 1 0.11616500 0.64650100 0.63819000 1.0 Co Co43 1 0.64635000 0.11646000 0.91113400 1.0 Co Co44 1 0.88295900 0.64324200 0.18776100 1.0 Co Co45 1 0.13887300 0.61923300 0.23778600 1.0 Co Co46 1 0.64324200 0.11704100 0.81223900 1.0 Co Co47 1 0.87686500 0.63035400 0.88934800 1.0 Co Co48 1 0.14433800 0.61647700 0.03942400 1.0 Co Co49 1 0.35948200 0.88261700 0.01018800 1.0 Co Co50 1 0.86112700 0.38076700 0.23778600 1.0 Co Co51 1 0.14051800 0.38261700 0.48981200 1.0 Co Co52 1 0.37195200 0.12548300 0.16135100 1.0 Co Co53 1 0.38352300 0.14433800 0.96057600 1.0 Co Co54 1 0.62147500 0.13347500 0.21193100 1.0 Co Co55 1 0.61923300 0.86112700 0.76221400 1.0 Co Co56 1 0.38076700 0.13887300 0.76221400 1.0 Co Co57 1 0.85948200 0.61738300 0.48981200 1.0 Co Co58 1 0.11704100 0.35675800 0.18776100 1.0 Co Co59 1 0.14324200 0.38295900 0.68776100 1.0 Co Co60 1 0.85349900 0.38383500 0.13819000 1.0 Co Co61 1 0.88057300 0.36423700 0.43980500 1.0 Co Co62 1 0.37686500 0.86964600 0.61065200 1.0 Co Co63 1 0.88354000 0.64635000 0.08886500 1.0 Co Co64 1 0.61647700 0.85566200 0.96057600 1.0 Co Co65 1 0.85365000 0.61646000 0.58886600 1.0 Co Co66 1 0.61942700 0.86423700 0.06019500 1.0 Co Co67 1 0.35365000 0.88354000 0.91113400 1.0 Co Co68 1 0.13576300 0.61942700 0.93980500 1.0 Co Co69 1 0.38383500 0.14650100 0.86181000 1.0 Co Co70 1 0.86652500 0.62147500 0.78806900 1.0 Co Co71 1 0.38295900 0.85675800 0.31223900 1.0 Co Co72 1 0.37451700 0.12804800 0.66135100 1.0 Co Co73 1 0.63576300 0.88057300 0.56019500 1.0 Co Co74 1 0.12147500 0.36652500 0.28806900 1.0 Co Co75 1 0.62548300 0.87195200 0.66135100 1.0 Co Co76 1 0.88261700 0.64051800 0.98981200 1.0 Co Co77 1 0.14650100 0.61616500 0.13819000 1.0 Co Co78 1 0.86423700 0.38057300 0.93980500 1.0 Co Co79 1 0.63347500 0.12147500 0.71193100 1.0 Co Co80 1 0.35566200 0.11647700 0.46057600 1.0 Co Co81 1 0.13035400 0.37686500 0.38934800 1.0 Co Co82 1 0.12313500 0.36964600 0.88934800 1.0 Co Co83 1 0.63035400 0.12313500 0.11065200 1.0 Co Co84 1 0.62804800 0.87451700 0.16135100 1.0 Co Co85 1 0.64650100 0.88383500 0.36181000 1.0 Co Co86 1 0.63887300 0.88076700 0.26221400 1.0 Co Co87 1 0.12804800 0.62548300 0.33864900 1.0 Co Co88 1 0.88383500 0.35349900 0.63819000 1.0 Co Co89 1 0.35349900 0.11616500 0.36181000 1.0 Co Co90 1 0.64433800 0.88352300 0.46057600 1.0 Co Co91 1 0.61704100 0.14324200 0.31223900 1.0 Co Co92 1 0.11923300 0.63887300 0.73778600 1.0 Co Co93 1 0.87451700 0.37195200 0.83864900 1.0 Co Co94 1 0.36652500 0.87852500 0.71193100 1.0 Co Co95 1 0.37852500 0.86652500 0.21193100 1.0 Co Co96 1 0.11647700 0.64433800 0.53942400 1.0 Co Co97 1 0.61738300 0.14051800 0.51018800 1.0 Co Co98 1 0.62313500 0.13035400 0.61065200 1.0 Co Co99 1 0.88352300 0.35566200 0.53942400 1.0 Co Co100 1 0.36964600 0.87686500 0.11065200 1.0 Co Co101 1 0.38261700 0.85948200 0.51018800 1.0 B B102 1 0.66304900 0.79362500 0.41105700 1.0 B B103 1 0.29433900 0.83573400 0.36157500 1.0 B B104 1 0.69932100 0.83669100 0.01005900 1.0 B B105 1 0.67414100 0.17588500 0.16086900 1.0 B B106 1 0.70566100 0.16426600 0.36157500 1.0 B B107 1 0.16722300 0.30954100 0.73815300 1.0 B B108 1 0.66848200 0.81783400 0.61032600 1.0 B B109 1 0.33669100 0.19932100 0.51005900 1.0 B B110 1 0.33478000 0.80862900 0.06000000 1.0 B B111 1 0.16426600 0.29433900 0.63842500 1.0 B B112 1 0.80862900 0.66522000 0.94000000 1.0 B B113 1 0.17588500 0.32585900 0.83913100 1.0 B B114 1 0.79433900 0.66426600 0.13842500 1.0 B B115 1 0.83478000 0.69137100 0.44000000 1.0 B B116 1 0.80145000 0.33419400 0.68810600 1.0 B B117 1 0.30862900 0.83478000 0.56000000 1.0 B B118 1 0.16522000 0.30862900 0.44000000 1.0 B B119 1 0.32888000 0.18219900 0.21147900 1.0 B B120 1 0.31780100 0.17112000 0.71147900 1.0 B B121 1 0.32585900 0.82411500 0.16086900 1.0 B B122 1 0.31783400 0.16848200 0.11032600 1.0 B B123 1 0.70637500 0.83695100 0.91105700 1.0 B B124 1 0.29362500 0.16304900 0.91105700 1.0 B B125 1 0.68216600 0.83151800 0.11032600 1.0 B B126 1 0.70464900 0.16273500 0.46046000 1.0 B B127 1 0.19045900 0.33277700 0.23815300 1.0 B B128 1 0.83419400 0.30145000 0.18810600 1.0 B B129 1 0.83573400 0.70566100 0.63842500 1.0 B B130 1 0.69045900 0.16722300 0.26184700 1.0 B B131 1 0.79362500 0.33695100 0.58894300 1.0 B B132 1 0.83151800 0.31783400 0.88967400 1.0 B B133 1 0.80067900 0.33669100 0.48994100 1.0 B B134 1 0.66580600 0.80145000 0.31189400 1.0 B B135 1 0.18219900 0.67112000 0.78852100 1.0 B B136 1 0.17414100 0.32411500 0.33913100 1.0 B B137 1 0.66273500 0.20464900 0.96046000 1.0 B B138 1 0.33277700 0.80954100 0.76184700 1.0 B B139 1 0.19137100 0.33478000 0.94000000 1.0 B B140 1 0.68219900 0.82888000 0.71147900 1.0 B B141 1 0.16330900 0.69932100 0.98994100 1.0 B B142 1 0.83277700 0.69045900 0.73815300 1.0 B B143 1 0.81780100 0.32888000 0.78852100 1.0 B B144 1 0.30954100 0.83277700 0.26184700 1.0 B B145 1 0.83726500 0.70464900 0.53954000 1.0 B B146 1 0.32411500 0.82585900 0.66086900 1.0 B B147 1 0.33726500 0.79535100 0.96046000 1.0 B B148 1 0.29535100 0.83726500 0.46046000 1.0 B B149 1 0.82888000 0.31780100 0.28852100 1.0 B B150 1 0.18216600 0.66848200 0.38967400 1.0 B B151 1 0.17112000 0.68219900 0.28852100 1.0 B B152 1 0.69137100 0.16522000 0.56000000 1.0 B B153 1 0.33151800 0.18216600 0.61032600 1.0 B B154 1 0.83695100 0.29362500 0.08894300 1.0 B B155 1 0.69855000 0.83419400 0.81189400 1.0 B B156 1 0.16848200 0.68216600 0.88967400 1.0 B B157 1 0.33695100 0.20637500 0.41105700 1.0 B B158 1 0.66722300 0.19045900 0.76184700 1.0 B B159 1 0.66426600 0.20566100 0.86157500 1.0 B B160 1 0.16580600 0.69855000 0.18810600 1.0 B B161 1 0.30067900 0.16330900 0.01005900 1.0 B B162 1 0.33419400 0.19855000 0.31189400 1.0 B B163 1 0.80954100 0.66722300 0.23815300 1.0 B B164 1 0.33573400 0.79433900 0.86157500 1.0 B B165 1 0.16304900 0.70637500 0.08894300 1.0 B B166 1 0.83669100 0.30067900 0.98994100 1.0 B B167 1 0.79535100 0.66273500 0.03954000 1.0 B B168 1 0.30145000 0.16580600 0.81189400 1.0 B B169 1 0.19855000 0.66580600 0.68810600 1.0 B B170 1 0.82411500 0.67414100 0.83913100 1.0 B B171 1 0.20637500 0.66304900 0.58894300 1.0 B B172 1 0.20464900 0.33726500 0.03954000 1.0 B B173 1 0.16273500 0.29535100 0.53954000 1.0 B B174 1 0.20566100 0.33573400 0.13842500 1.0 B B175 1 0.66522000 0.19137100 0.06000000 1.0 B B176 1 0.19932100 0.66330900 0.48994100 1.0 B B177 1 0.66330900 0.80067900 0.51005900 1.0 B B178 1 0.67112000 0.81780100 0.21147900 1.0 B B179 1 0.82585900 0.67588500 0.33913100 1.0 B B180 1 0.67588500 0.17414100 0.66086900 1.0 B B181 1 0.81783400 0.33151800 0.38967400 1.0