# generated using pymatgen data_SmNbReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59289726 _cell_length_b 8.98174144 _cell_length_c 11.38635926 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmNbReB6 _chemical_formula_sum 'Sm4 Nb4 Re4 B24' _cell_volume 367.44321224 _cell_formula_units_Z 4 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 0.32278602 0.41416797 1.0 Sm Sm1 1 0.00000000 0.67721398 0.58583203 1.0 Sm Sm2 1 0.00000000 0.82278602 0.08583203 1.0 Sm Sm3 1 0.00000000 0.17721398 0.91416797 1.0 Nb Nb4 1 0.00000000 0.94610311 0.37510049 1.0 Nb Nb5 1 0.00000000 0.05389689 0.62489951 1.0 Nb Nb6 1 0.00000000 0.44610311 0.12489951 1.0 Nb Nb7 1 0.00000000 0.55389689 0.87510049 1.0 Re Re8 1 0.00000000 0.64482129 0.31613616 1.0 Re Re9 1 0.00000000 0.35517871 0.68386384 1.0 Re Re10 1 0.00000000 0.14482129 0.18386384 1.0 Re Re11 1 0.00000000 0.85517871 0.81613616 1.0 B B12 1 0.50000000 0.55594183 0.43183018 1.0 B B13 1 0.50000000 0.44405817 0.56816982 1.0 B B14 1 0.50000000 0.05594183 0.06816982 1.0 B B15 1 0.50000000 0.94405817 0.93183018 1.0 B B16 1 0.50000000 0.75529471 0.41664987 1.0 B B17 1 0.50000000 0.24470529 0.58335013 1.0 B B18 1 0.50000000 0.25529471 0.08335013 1.0 B B19 1 0.50000000 0.74470529 0.91664987 1.0 B B20 1 0.50000000 0.79764845 0.26350259 1.0 B B21 1 0.50000000 0.20235155 0.73649741 1.0 B B22 1 0.50000000 0.29764845 0.23649741 1.0 B B23 1 0.50000000 0.70235155 0.76350259 1.0 B B24 1 0.50000000 0.62956419 0.18172742 1.0 B B25 1 0.50000000 0.37043581 0.81827258 1.0 B B26 1 0.50000000 0.12956419 0.31827258 1.0 B B27 1 0.50000000 0.87043581 0.68172742 1.0 B B28 1 0.50000000 0.98315331 0.21430446 1.0 B B29 1 0.50000000 0.01684669 0.78569554 1.0 B B30 1 0.50000000 0.48315331 0.28569554 1.0 B B31 1 0.50000000 0.51684669 0.71430446 1.0 B B32 1 0.50000000 0.59828473 0.02591427 1.0 B B33 1 0.50000000 0.40171527 0.97408573 1.0 B B34 1 0.50000000 0.09828473 0.47408573 1.0 B B35 1 0.50000000 0.90171527 0.52591427 1.0