# generated using pymatgen data_Lu4B12RuW _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55113034 _cell_length_b 9.08968549 _cell_length_c 11.46788271 _cell_angle_alpha 89.73945539 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu4B12RuW _chemical_formula_sum 'Lu8 B24 Ru2 W2' _cell_volume 370.16403544 _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 0.32104601 0.41477371 1.0 Lu Lu1 1 0.00000000 0.67895399 0.58522629 1.0 Lu Lu2 1 0.00000000 0.82078665 0.08593943 1.0 Lu Lu3 1 0.00000000 0.17921335 0.91406057 1.0 Lu Lu4 1 0.00000000 0.94549224 0.37154706 1.0 Lu Lu5 1 0.00000000 0.05450776 0.62845294 1.0 Lu Lu6 1 0.00000000 0.44177532 0.12732057 1.0 Lu Lu7 1 0.00000000 0.55822468 0.87267943 1.0 B B8 1 0.50000000 0.55080111 0.43499377 1.0 B B9 1 0.50000000 0.44919889 0.56500623 1.0 B B10 1 0.50000000 0.05394191 0.06586883 1.0 B B11 1 0.50000000 0.94605809 0.93413117 1.0 B B12 1 0.50000000 0.75230462 0.42234429 1.0 B B13 1 0.50000000 0.24769538 0.57765571 1.0 B B14 1 0.50000000 0.24896975 0.08009287 1.0 B B15 1 0.50000000 0.75103025 0.91990713 1.0 B B16 1 0.50000000 0.79704715 0.26215247 1.0 B B17 1 0.50000000 0.20295285 0.73784753 1.0 B B18 1 0.50000000 0.29036198 0.23372438 1.0 B B19 1 0.50000000 0.70963802 0.76627562 1.0 B B20 1 0.50000000 0.63153434 0.18044826 1.0 B B21 1 0.50000000 0.36846566 0.81955174 1.0 B B22 1 0.50000000 0.13046668 0.31416952 1.0 B B23 1 0.50000000 0.86953332 0.68583048 1.0 B B24 1 0.50000000 0.98286643 0.21131040 1.0 B B25 1 0.50000000 0.01713357 0.78868960 1.0 B B26 1 0.50000000 0.47563129 0.28630090 1.0 B B27 1 0.50000000 0.52436871 0.71369910 1.0 B B28 1 0.50000000 0.60355036 0.02753200 1.0 B B29 1 0.50000000 0.39644964 0.97246800 1.0 B B30 1 0.50000000 0.10305561 0.47039085 1.0 B B31 1 0.50000000 0.89694439 0.52960915 1.0 Ru Ru32 1 0.00000000 0.13789314 0.17842163 1.0 Ru Ru33 1 0.00000000 0.86210686 0.82157837 1.0 W W34 1 0.00000000 0.63895654 0.31912683 1.0 W W35 1 0.00000000 0.36104346 0.68087317 1.0