# generated using pymatgen data_NaYb(SmB12)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.12774296 _cell_length_b 7.12774323 _cell_length_c 5.83185528 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 109.41844276 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaYb(SmB12)2 _chemical_formula_sum 'Na1 Yb1 Sm2 B24' _cell_volume 279.43177182 _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 Na Na0 1 0.75150094 0.24849906 0.50000000 1.0 Yb Yb1 1 0.99585986 0.00414014 0.00000000 1.0 Sm Sm2 1 0.50323884 0.49676116 0.00000000 1.0 Sm Sm3 1 0.24890992 0.75109008 0.50000000 1.0 B B4 1 0.17516989 0.32485102 0.64951400 1.0 B B5 1 0.92595076 0.57562692 0.14945997 1.0 B B6 1 0.67514898 0.82483011 0.64951400 1.0 B B7 1 0.42437308 0.07404924 0.14945997 1.0 B B8 1 0.17516989 0.32485102 0.35048600 1.0 B B9 1 0.92595076 0.57562692 0.85054003 1.0 B B10 1 0.67514898 0.82483011 0.35048600 1.0 B B11 1 0.42437308 0.07404924 0.85054003 1.0 B B12 1 0.40054846 0.39855528 0.50000000 1.0 B B13 1 0.14943689 0.65038525 0.00000000 1.0 B B14 1 0.89872775 0.90047877 0.50000000 1.0 B B15 1 0.64965677 0.14877634 0.00000000 1.0 B B16 1 0.32445879 0.17476448 0.64960725 1.0 B B17 1 0.07523889 0.42541832 0.14938292 1.0 B B18 1 0.82523552 0.67554121 0.64960725 1.0 B B19 1 0.57458168 0.92476111 0.14938292 1.0 B B20 1 0.09952123 0.10127225 0.50000000 1.0 B B21 1 0.85122366 0.35034323 0.00000000 1.0 B B22 1 0.60144472 0.59945154 0.50000000 1.0 B B23 1 0.34961475 0.85056311 0.00000000 1.0 B B24 1 0.32445879 0.17476448 0.35039275 1.0 B B25 1 0.07523889 0.42541832 0.85061708 1.0 B B26 1 0.82523552 0.67554121 0.35039275 1.0 B B27 1 0.57458168 0.92476111 0.85061708 1.0