# generated using pymatgen data_Lu2Fe14B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.70044700 _cell_length_b 8.70044700 _cell_length_c 11.77481800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2Fe14B _chemical_formula_sum 'Lu8 Fe56 B4' _cell_volume 891.32755895 _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 Lu Lu0 1 0.85654000 0.14346000 0.00000000 1.0 Lu Lu1 1 0.35654000 0.35654000 0.50000000 1.0 Lu Lu2 1 0.64346000 0.64346000 0.50000000 1.0 Lu Lu3 1 0.14346000 0.85654000 0.00000000 1.0 Lu Lu4 1 0.73400000 0.73400000 0.00000000 1.0 Lu Lu5 1 0.76600000 0.23400000 0.50000000 1.0 Lu Lu6 1 0.23400000 0.76600000 0.50000000 1.0 Lu Lu7 1 0.26600000 0.26600000 0.00000000 1.0 Fe Fe8 1 0.35798500 0.03728100 0.17379500 1.0 Fe Fe9 1 0.64201500 0.96271900 0.17379500 1.0 Fe Fe10 1 0.03728100 0.35798500 0.82620500 1.0 Fe Fe11 1 0.53728100 0.14201500 0.67379500 1.0 Fe Fe12 1 0.46271900 0.85798500 0.67379500 1.0 Fe Fe13 1 0.14201500 0.53728100 0.32620500 1.0 Fe Fe14 1 0.85798500 0.46271900 0.32620500 1.0 Fe Fe15 1 0.96271900 0.64201500 0.82620500 1.0 Fe Fe16 1 0.64201500 0.96271900 0.82620500 1.0 Fe Fe17 1 0.35798500 0.03728100 0.82620500 1.0 Fe Fe18 1 0.96271900 0.64201500 0.17379500 1.0 Fe Fe19 1 0.46271900 0.85798500 0.32620500 1.0 Fe Fe20 1 0.53728100 0.14201500 0.32620500 1.0 Fe Fe21 1 0.85798500 0.46271900 0.67379500 1.0 Fe Fe22 1 0.14201500 0.53728100 0.67379500 1.0 Fe Fe23 1 0.03728100 0.35798500 0.17379500 1.0 Fe Fe24 1 0.56564600 0.22427000 0.12559600 1.0 Fe Fe25 1 0.43435400 0.77573000 0.12559600 1.0 Fe Fe26 1 0.22427000 0.56564600 0.87440400 1.0 Fe Fe27 1 0.72427000 0.93435400 0.62559600 1.0 Fe Fe28 1 0.27573000 0.06564600 0.62559600 1.0 Fe Fe29 1 0.93435400 0.72427000 0.37440400 1.0 Fe Fe30 1 0.06564600 0.27573000 0.37440400 1.0 Fe Fe31 1 0.77573000 0.43435400 0.87440400 1.0 Fe Fe32 1 0.43435400 0.77573000 0.87440400 1.0 Fe Fe33 1 0.56564600 0.22427000 0.87440400 1.0 Fe Fe34 1 0.77573000 0.43435400 0.12559600 1.0 Fe Fe35 1 0.27573000 0.06564600 0.37440400 1.0 Fe Fe36 1 0.72427000 0.93435400 0.37440400 1.0 Fe Fe37 1 0.06564600 0.27573000 0.62559600 1.0 Fe Fe38 1 0.93435400 0.72427000 0.62559600 1.0 Fe Fe39 1 0.22427000 0.56564600 0.12559600 1.0 Fe Fe40 1 0.68321500 0.68321500 0.75401200 1.0 Fe Fe41 1 0.31678500 0.31678500 0.75401200 1.0 Fe Fe42 1 0.68321500 0.68321500 0.24598800 1.0 Fe Fe43 1 0.18321500 0.81678500 0.25401200 1.0 Fe Fe44 1 0.81678500 0.18321500 0.25401200 1.0 Fe Fe45 1 0.81678500 0.18321500 0.74598800 1.0 Fe Fe46 1 0.18321500 0.81678500 0.74598800 1.0 Fe Fe47 1 0.31678500 0.31678500 0.24598800 1.0 Fe Fe48 1 0.90313000 0.90313000 0.80191600 1.0 Fe Fe49 1 0.09687000 0.09687000 0.80191600 1.0 Fe Fe50 1 0.90313000 0.90313000 0.19808400 1.0 Fe Fe51 1 0.40313000 0.59687000 0.30191600 1.0 Fe Fe52 1 0.59687000 0.40313000 0.30191600 1.0 Fe Fe53 1 0.59687000 0.40313000 0.69808400 1.0 Fe Fe54 1 0.40313000 0.59687000 0.69808400 1.0 Fe Fe55 1 0.09687000 0.09687000 0.19808400 1.0 Fe Fe56 1 0.00000000 0.00000000 0.38383100 1.0 Fe Fe57 1 0.50000000 0.50000000 0.88383100 1.0 Fe Fe58 1 0.50000000 0.50000000 0.11616900 1.0 Fe Fe59 1 0.00000000 0.00000000 0.61616900 1.0 Fe Fe60 1 0.50000000 0.00000000 0.00000000 1.0 Fe Fe61 1 0.50000000 0.00000000 0.50000000 1.0 Fe Fe62 1 0.00000000 0.50000000 0.50000000 1.0 Fe Fe63 1 0.00000000 0.50000000 0.00000000 1.0 B B64 1 0.62540200 0.37459800 0.00000000 1.0 B B65 1 0.12540200 0.12540200 0.50000000 1.0 B B66 1 0.87459800 0.87459800 0.50000000 1.0 B B67 1 0.37459800 0.62540200 0.00000000 1.0