# generated using pymatgen data_Lu4CuB14 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13848112 _cell_length_b 7.13848112 _cell_length_c 7.38720662 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4CuB14 _chemical_formula_sum 'Lu8 Cu2 B28' _cell_volume 376.43663017 _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 0.19431980 0.33297749 0.00000000 1.0 Lu Lu1 1 0.66702251 0.19431980 0.00000000 1.0 Lu Lu2 1 0.33297749 0.80568020 0.00000000 1.0 Lu Lu3 1 0.69431980 0.16702251 0.50000000 1.0 Lu Lu4 1 0.30568020 0.83297749 0.50000000 1.0 Lu Lu5 1 0.80568020 0.66702251 0.00000000 1.0 Lu Lu6 1 0.83297749 0.69431980 0.50000000 1.0 Lu Lu7 1 0.16702251 0.30568020 0.50000000 1.0 Cu Cu8 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu9 1 0.50000000 0.50000000 0.50000000 1.0 B B10 1 0.17647827 0.03898828 0.23368136 1.0 B B11 1 0.96101172 0.17647827 0.23368136 1.0 B B12 1 0.03898828 0.82352173 0.23368136 1.0 B B13 1 0.67647827 0.46101172 0.26631864 1.0 B B14 1 0.32352173 0.53898828 0.26631864 1.0 B B15 1 0.82352173 0.96101172 0.23368136 1.0 B B16 1 0.53898828 0.67647827 0.26631864 1.0 B B17 1 0.46101172 0.32352173 0.26631864 1.0 B B18 1 0.82352173 0.96101172 0.76631864 1.0 B B19 1 0.03898828 0.82352173 0.76631864 1.0 B B20 1 0.96101172 0.17647827 0.76631864 1.0 B B21 1 0.32352173 0.53898828 0.73368136 1.0 B B22 1 0.67647827 0.46101172 0.73368136 1.0 B B23 1 0.17647827 0.03898828 0.76631864 1.0 B B24 1 0.46101172 0.32352173 0.73368136 1.0 B B25 1 0.53898828 0.67647827 0.73368136 1.0 B B26 1 0.08781603 0.58781603 0.25000000 1.0 B B27 1 0.41218397 0.08781603 0.25000000 1.0 B B28 1 0.58781603 0.91218397 0.25000000 1.0 B B29 1 0.91218397 0.41218397 0.25000000 1.0 B B30 1 0.91218397 0.41218397 0.75000000 1.0 B B31 1 0.58781603 0.91218397 0.75000000 1.0 B B32 1 0.41218397 0.08781603 0.75000000 1.0 B B33 1 0.08781603 0.58781603 0.75000000 1.0 B B34 1 0.00000000 0.00000000 0.38988808 1.0 B B35 1 0.50000000 0.50000000 0.11011192 1.0 B B36 1 0.00000000 0.00000000 0.61011192 1.0 B B37 1 0.50000000 0.50000000 0.88988808 1.0