# generated using pymatgen data_Lu2B4Mo2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.08390992 _cell_length_b 8.76641030 _cell_length_c 10.07904284 _cell_angle_alpha 89.99990438 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu2B4Mo2Ru3 _chemical_formula_sum 'Lu4 B8 Mo4 Ru6' _cell_volume 272.48510579 _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 0.50000000 0.83775553 0.18124026 1.0 Lu Lu1 1 0.50000000 0.16224447 0.81875974 1.0 Lu Lu2 1 0.50000000 0.66222866 0.68129732 1.0 Lu Lu3 1 0.50000000 0.33777134 0.31870268 1.0 B B4 1 0.50000000 0.96748384 0.58584375 1.0 B B5 1 0.50000000 0.03251616 0.41415625 1.0 B B6 1 0.50000000 0.85307440 0.90007746 1.0 B B7 1 0.50000000 0.14692560 0.09992254 1.0 B B8 1 0.50000000 0.64692925 0.40007460 1.0 B B9 1 0.50000000 0.35307075 0.59992540 1.0 B B10 1 0.50000000 0.46748111 0.91417822 1.0 B B11 1 0.50000000 0.53251889 0.08582178 1.0 Mo Mo12 1 0.00000000 0.66157605 0.95302878 1.0 Mo Mo13 1 0.00000000 0.33842395 0.04697122 1.0 Mo Mo14 1 0.00000000 0.83841697 0.45301965 1.0 Mo Mo15 1 0.00000000 0.16158303 0.54698035 1.0 Ru Ru16 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru17 1 0.00000000 0.41013256 0.76059141 1.0 Ru Ru18 1 0.00000000 0.58986744 0.23940859 1.0 Ru Ru19 1 0.00000000 0.50000000 0.50000000 1.0 Ru Ru20 1 0.00000000 0.91015814 0.73938984 1.0 Ru Ru21 1 0.00000000 0.08984186 0.26061016 1.0