# generated using pymatgen data_SmLuReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67156037 _cell_length_b 9.13901541 _cell_length_c 11.56730181 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmLuReB6 _chemical_formula_sum 'Sm4 Lu4 Re4 B24' _cell_volume 388.13441322 _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 0.32316621 0.41444694 1.0 Sm Sm1 1 0.00000000 0.67683379 0.58555306 1.0 Sm Sm2 1 0.00000000 0.82316621 0.08555306 1.0 Sm Sm3 1 0.00000000 0.17683379 0.91444694 1.0 Lu Lu4 1 0.00000000 0.94305324 0.36882889 1.0 Lu Lu5 1 0.00000000 0.05694676 0.63117111 1.0 Lu Lu6 1 0.00000000 0.44305324 0.13117111 1.0 Lu Lu7 1 0.00000000 0.55694676 0.86882889 1.0 Re Re8 1 0.00000000 0.64006769 0.31866899 1.0 Re Re9 1 0.00000000 0.35993231 0.68133101 1.0 Re Re10 1 0.00000000 0.14006769 0.18133101 1.0 Re Re11 1 0.00000000 0.85993231 0.81866899 1.0 B B12 1 0.50000000 0.55508891 0.43090445 1.0 B B13 1 0.50000000 0.44491109 0.56909555 1.0 B B14 1 0.50000000 0.05508891 0.06909555 1.0 B B15 1 0.50000000 0.94491109 0.93090445 1.0 B B16 1 0.50000000 0.75181760 0.41653621 1.0 B B17 1 0.50000000 0.24818240 0.58346379 1.0 B B18 1 0.50000000 0.25181760 0.08346379 1.0 B B19 1 0.50000000 0.74818240 0.91653621 1.0 B B20 1 0.50000000 0.79276913 0.26534023 1.0 B B21 1 0.50000000 0.20723087 0.73465977 1.0 B B22 1 0.50000000 0.29276913 0.23465977 1.0 B B23 1 0.50000000 0.70723087 0.76534023 1.0 B B24 1 0.50000000 0.62945267 0.18511555 1.0 B B25 1 0.50000000 0.37054733 0.81488445 1.0 B B26 1 0.50000000 0.12945267 0.31488445 1.0 B B27 1 0.50000000 0.87054733 0.68511555 1.0 B B28 1 0.50000000 0.98323955 0.21340736 1.0 B B29 1 0.50000000 0.01676045 0.78659264 1.0 B B30 1 0.50000000 0.48323955 0.28659264 1.0 B B31 1 0.50000000 0.51676045 0.71340736 1.0 B B32 1 0.50000000 0.59554538 0.02615308 1.0 B B33 1 0.50000000 0.40445462 0.97384692 1.0 B B34 1 0.50000000 0.09554538 0.47384692 1.0 B B35 1 0.50000000 0.90445462 0.52615308 1.0