# generated using pymatgen data_Lu4MnFeB12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.46492413 _cell_length_b 8.94600889 _cell_length_c 11.30109701 _cell_angle_alpha 90.17151679 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4MnFeB12 _chemical_formula_sum 'Lu8 Mn2 Fe2 B24' _cell_volume 350.30127044 _cell_formula_units_Z 2 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 Lu Lu0 1 0.00000000 0.32168044 0.41340211 1.0 Lu Lu1 1 0.00000000 0.67831956 0.58659789 1.0 Lu Lu2 1 0.00000000 0.82585611 0.08340381 1.0 Lu Lu3 1 0.00000000 0.17414389 0.91659619 1.0 Lu Lu4 1 0.00000000 0.94264575 0.36855962 1.0 Lu Lu5 1 0.00000000 0.05735425 0.63144038 1.0 Lu Lu6 1 0.00000000 0.44136468 0.13061912 1.0 Lu Lu7 1 0.00000000 0.55863532 0.86938088 1.0 Mn Mn8 1 0.00000000 0.13848771 0.18054529 1.0 Mn Mn9 1 0.00000000 0.86151229 0.81945471 1.0 Fe Fe10 1 0.00000000 0.63823227 0.32072780 1.0 Fe Fe11 1 0.00000000 0.36176773 0.67927220 1.0 B B12 1 0.50000000 0.55403922 0.43281432 1.0 B B13 1 0.50000000 0.44596078 0.56718568 1.0 B B14 1 0.50000000 0.05342791 0.06746995 1.0 B B15 1 0.50000000 0.94657209 0.93253005 1.0 B B16 1 0.50000000 0.74730867 0.41804751 1.0 B B17 1 0.50000000 0.25269133 0.58195249 1.0 B B18 1 0.50000000 0.24695168 0.08218371 1.0 B B19 1 0.50000000 0.75304832 0.91781629 1.0 B B20 1 0.50000000 0.79019763 0.26497214 1.0 B B21 1 0.50000000 0.20980237 0.73502786 1.0 B B22 1 0.50000000 0.29087574 0.23535180 1.0 B B23 1 0.50000000 0.70912426 0.76464820 1.0 B B24 1 0.50000000 0.63105832 0.18590249 1.0 B B25 1 0.50000000 0.36894168 0.81409751 1.0 B B26 1 0.50000000 0.13134430 0.31439658 1.0 B B27 1 0.50000000 0.86865570 0.68560342 1.0 B B28 1 0.50000000 0.98341990 0.21130314 1.0 B B29 1 0.50000000 0.01658010 0.78869686 1.0 B B30 1 0.50000000 0.48389119 0.28892544 1.0 B B31 1 0.50000000 0.51610881 0.71107456 1.0 B B32 1 0.50000000 0.60345930 0.02871459 1.0 B B33 1 0.50000000 0.39654070 0.97128541 1.0 B B34 1 0.50000000 0.10338303 0.47178402 1.0 B B35 1 0.50000000 0.89661697 0.52821598 1.0