# generated using pymatgen data_KNd(SmB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.14922391 _cell_length_b 7.14922433 _cell_length_c 5.86659543 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.29460805 _symmetry_Int_Tables_number 1 _chemical_formula_structural KNd(SmB12)2 _chemical_formula_sum 'K1 Nd1 Sm2 B24' _cell_volume 283.00798191 _cell_formula_units_Z 1 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 K K0 1 0.74997146 0.25002854 0.50000000 1.0 Nd Nd1 1 0.99722755 0.00277245 0.00000000 1.0 Sm Sm2 1 0.50312721 0.49687279 0.00000000 1.0 Sm Sm3 1 0.25022597 0.74977403 0.50000000 1.0 B B4 1 0.17597309 0.32669233 0.64854878 1.0 B B5 1 0.92639186 0.57588064 0.14995805 1.0 B B6 1 0.67330767 0.82402691 0.64854878 1.0 B B7 1 0.42411936 0.07360814 0.14995805 1.0 B B8 1 0.17597309 0.32669233 0.35145122 1.0 B B9 1 0.92639186 0.57588064 0.85004195 1.0 B B10 1 0.67330767 0.82402691 0.35145122 1.0 B B11 1 0.42411936 0.07360814 0.85004195 1.0 B B12 1 0.40153741 0.39826903 0.50000000 1.0 B B13 1 0.15041325 0.65058190 0.00000000 1.0 B B14 1 0.89793531 0.90118390 0.50000000 1.0 B B15 1 0.64875311 0.14881266 0.00000000 1.0 B B16 1 0.32460697 0.17394030 0.64853672 1.0 B B17 1 0.07619546 0.42682750 0.14995930 1.0 B B18 1 0.82605970 0.67539303 0.64853672 1.0 B B19 1 0.57317250 0.92380454 0.14995930 1.0 B B20 1 0.09881610 0.10206469 0.50000000 1.0 B B21 1 0.85118734 0.35124689 0.00000000 1.0 B B22 1 0.60173097 0.59846259 0.50000000 1.0 B B23 1 0.34941810 0.84958675 0.00000000 1.0 B B24 1 0.32460697 0.17394030 0.35146328 1.0 B B25 1 0.07619546 0.42682750 0.85004070 1.0 B B26 1 0.82605970 0.67539303 0.35146328 1.0 B B27 1 0.57317250 0.92380454 0.85004070 1.0