# generated using pymatgen data_CeLuReB6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69413133 _cell_length_b 9.11780736 _cell_length_c 11.51577251 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeLuReB6 _chemical_formula_sum 'Ce4 Lu4 Re4 B24' _cell_volume 387.87860076 _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 Ce Ce0 1 0.00000000 0.32183009 0.41431841 1.0 Ce Ce1 1 0.00000000 0.67816991 0.58568159 1.0 Ce Ce2 1 0.00000000 0.82183009 0.08568159 1.0 Ce Ce3 1 0.00000000 0.17816991 0.91431841 1.0 Lu Lu4 1 0.00000000 0.94485241 0.37287341 1.0 Lu Lu5 1 0.00000000 0.05514759 0.62712659 1.0 Lu Lu6 1 0.00000000 0.44485241 0.12712659 1.0 Lu Lu7 1 0.00000000 0.55514759 0.87287341 1.0 Re Re8 1 0.00000000 0.63947595 0.31990012 1.0 Re Re9 1 0.00000000 0.36052405 0.68009988 1.0 Re Re10 1 0.00000000 0.13947595 0.18009988 1.0 Re Re11 1 0.00000000 0.86052405 0.81990012 1.0 B B12 1 0.50000000 0.55515256 0.43109134 1.0 B B13 1 0.50000000 0.44484744 0.56890866 1.0 B B14 1 0.50000000 0.05515256 0.06890866 1.0 B B15 1 0.50000000 0.94484744 0.93109134 1.0 B B16 1 0.50000000 0.75067016 0.41802828 1.0 B B17 1 0.50000000 0.24932984 0.58197172 1.0 B B18 1 0.50000000 0.25067016 0.08197172 1.0 B B19 1 0.50000000 0.74932984 0.91802828 1.0 B B20 1 0.50000000 0.79242682 0.26591796 1.0 B B21 1 0.50000000 0.20757318 0.73408204 1.0 B B22 1 0.50000000 0.29242682 0.23408204 1.0 B B23 1 0.50000000 0.70757318 0.76591796 1.0 B B24 1 0.50000000 0.63072743 0.18508375 1.0 B B25 1 0.50000000 0.36927257 0.81491625 1.0 B B26 1 0.50000000 0.13072743 0.31491625 1.0 B B27 1 0.50000000 0.86927257 0.68508375 1.0 B B28 1 0.50000000 0.98353481 0.21386952 1.0 B B29 1 0.50000000 0.01646519 0.78613048 1.0 B B30 1 0.50000000 0.48353481 0.28613048 1.0 B B31 1 0.50000000 0.51646519 0.71386952 1.0 B B32 1 0.50000000 0.60343136 0.02834821 1.0 B B33 1 0.50000000 0.39656864 0.97165179 1.0 B B34 1 0.50000000 0.10343136 0.47165179 1.0 B B35 1 0.50000000 0.89656864 0.52834821 1.0