# generated using pymatgen data_Lu8Fe(B8W)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50391503 _cell_length_b 9.13707636 _cell_length_c 11.50627191 _cell_angle_alpha 90.16983155 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu8Fe(B8W)3 _chemical_formula_sum 'Lu8 Fe1 B24 W3' _cell_volume 368.37788121 _cell_formula_units_Z 1 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 0.81976913 0.08617238 1.0 Lu Lu1 1 0.00000000 0.17899988 0.91374374 1.0 Lu Lu2 1 0.00000000 0.32089722 0.41589688 1.0 Lu Lu3 1 0.00000000 0.67774977 0.58700798 1.0 Lu Lu4 1 0.00000000 0.44379485 0.12626518 1.0 Lu Lu5 1 0.00000000 0.55263211 0.86779779 1.0 Lu Lu6 1 0.00000000 0.94559383 0.37403223 1.0 Lu Lu7 1 0.00000000 0.06242575 0.62949723 1.0 Fe Fe8 1 0.00000000 0.36052448 0.68017042 1.0 B B9 1 0.50000000 0.05027341 0.06423529 1.0 B B10 1 0.50000000 0.94828764 0.93497624 1.0 B B11 1 0.50000000 0.54930971 0.43854149 1.0 B B12 1 0.50000000 0.44377587 0.56942122 1.0 B B13 1 0.50000000 0.25182280 0.07631421 1.0 B B14 1 0.50000000 0.74600904 0.92102006 1.0 B B15 1 0.50000000 0.75385752 0.42408834 1.0 B B16 1 0.50000000 0.25372171 0.58311204 1.0 B B17 1 0.50000000 0.29602485 0.23636567 1.0 B B18 1 0.50000000 0.70238404 0.76069820 1.0 B B19 1 0.50000000 0.79534428 0.26399280 1.0 B B20 1 0.50000000 0.21158887 0.73425101 1.0 B B21 1 0.50000000 0.13264624 0.31887800 1.0 B B22 1 0.50000000 0.86981024 0.68053400 1.0 B B23 1 0.50000000 0.63036629 0.18237239 1.0 B B24 1 0.50000000 0.36859432 0.81274520 1.0 B B25 1 0.50000000 0.47650478 0.28794942 1.0 B B26 1 0.50000000 0.51324410 0.71057125 1.0 B B27 1 0.50000000 0.97706942 0.21353703 1.0 B B28 1 0.50000000 0.02479785 0.78729565 1.0 B B29 1 0.50000000 0.10507609 0.47379750 1.0 B B30 1 0.50000000 0.90226536 0.52877012 1.0 B B31 1 0.50000000 0.59998058 0.02640776 1.0 B B32 1 0.50000000 0.39717603 0.96881236 1.0 W W33 1 0.00000000 0.13904665 0.17984877 1.0 W W34 1 0.00000000 0.86015026 0.81846140 1.0 W W35 1 0.00000000 0.63848597 0.32241777 1.0