# generated using pymatgen data_CeLuB6W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.67853874 _cell_length_b 9.21395544 _cell_length_c 11.63234686 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeLuB6W _chemical_formula_sum 'Ce4 Lu4 B24 W4' _cell_volume 394.26550914 _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 0.32129643 0.41449203 1.0 Ce Ce1 1 0.00000000 0.67870357 0.58550797 1.0 Ce Ce2 1 0.00000000 0.82129643 0.08550797 1.0 Ce Ce3 1 0.00000000 0.17870357 0.91449203 1.0 Lu Lu4 1 0.00000000 0.94433438 0.37191182 1.0 Lu Lu5 1 0.00000000 0.05566562 0.62808818 1.0 Lu Lu6 1 0.00000000 0.44433438 0.12808818 1.0 Lu Lu7 1 0.00000000 0.55566562 0.87191182 1.0 B B8 1 0.50000000 0.55378372 0.43229474 1.0 B B9 1 0.50000000 0.44621628 0.56770526 1.0 B B10 1 0.50000000 0.05378372 0.06770526 1.0 B B11 1 0.50000000 0.94621628 0.93229474 1.0 B B12 1 0.50000000 0.75236882 0.41834400 1.0 B B13 1 0.50000000 0.24763118 0.58165600 1.0 B B14 1 0.50000000 0.25236882 0.08165600 1.0 B B15 1 0.50000000 0.74763118 0.91834400 1.0 B B16 1 0.50000000 0.79399420 0.26489040 1.0 B B17 1 0.50000000 0.20600580 0.73510960 1.0 B B18 1 0.50000000 0.29399420 0.23510960 1.0 B B19 1 0.50000000 0.70600580 0.76489040 1.0 B B20 1 0.50000000 0.62980601 0.18394443 1.0 B B21 1 0.50000000 0.37019399 0.81605557 1.0 B B22 1 0.50000000 0.12980601 0.31605557 1.0 B B23 1 0.50000000 0.87019399 0.68394443 1.0 B B24 1 0.50000000 0.98092485 0.21402168 1.0 B B25 1 0.50000000 0.01907515 0.78597832 1.0 B B26 1 0.50000000 0.48092485 0.28597832 1.0 B B27 1 0.50000000 0.51907515 0.71402168 1.0 B B28 1 0.50000000 0.59900530 0.02736973 1.0 B B29 1 0.50000000 0.40099470 0.97263027 1.0 B B30 1 0.50000000 0.09900530 0.47263027 1.0 B B31 1 0.50000000 0.90099470 0.52736973 1.0 W W32 1 0.00000000 0.63951933 0.31978687 1.0 W W33 1 0.00000000 0.36048067 0.68021313 1.0 W W34 1 0.00000000 0.13951933 0.18021313 1.0 W W35 1 0.00000000 0.86048067 0.81978687 1.0