# generated using pymatgen data_TmLuB6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59318730 _cell_length_b 9.01168349 _cell_length_c 11.37395919 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TmLuB6Ru _chemical_formula_sum 'Tm4 Lu4 B24 Ru4' _cell_volume 368.29638078 _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 Tm Tm0 1 0.00000000 0.32059220 0.41434508 1.0 Tm Tm1 1 0.00000000 0.67940780 0.58565492 1.0 Tm Tm2 1 0.00000000 0.82059220 0.08565492 1.0 Tm Tm3 1 0.00000000 0.17940780 0.91434508 1.0 Lu Lu4 1 0.00000000 0.94399462 0.37291452 1.0 Lu Lu5 1 0.00000000 0.05600538 0.62708548 1.0 Lu Lu6 1 0.00000000 0.44399462 0.12708548 1.0 Lu Lu7 1 0.00000000 0.55600538 0.87291452 1.0 B B8 1 0.50000000 0.55390001 0.43322672 1.0 B B9 1 0.50000000 0.44609999 0.56677328 1.0 B B10 1 0.50000000 0.05390001 0.06677328 1.0 B B11 1 0.50000000 0.94609999 0.93322672 1.0 B B12 1 0.50000000 0.74927055 0.41994691 1.0 B B13 1 0.50000000 0.25072945 0.58005309 1.0 B B14 1 0.50000000 0.24927055 0.08005309 1.0 B B15 1 0.50000000 0.75072945 0.91994691 1.0 B B16 1 0.50000000 0.79160848 0.26559443 1.0 B B17 1 0.50000000 0.20839152 0.73440557 1.0 B B18 1 0.50000000 0.29160848 0.23440557 1.0 B B19 1 0.50000000 0.70839152 0.76559443 1.0 B B20 1 0.50000000 0.63091905 0.18427260 1.0 B B21 1 0.50000000 0.36908095 0.81572740 1.0 B B22 1 0.50000000 0.13091905 0.31572740 1.0 B B23 1 0.50000000 0.86908095 0.68427260 1.0 B B24 1 0.50000000 0.98218540 0.21313170 1.0 B B25 1 0.50000000 0.01781460 0.78686830 1.0 B B26 1 0.50000000 0.48218540 0.28686830 1.0 B B27 1 0.50000000 0.51781460 0.71313170 1.0 B B28 1 0.50000000 0.60650683 0.02924143 1.0 B B29 1 0.50000000 0.39349317 0.97075857 1.0 B B30 1 0.50000000 0.10650683 0.47075857 1.0 B B31 1 0.50000000 0.89349317 0.52924143 1.0 Ru Ru32 1 0.00000000 0.63809594 0.32058018 1.0 Ru Ru33 1 0.00000000 0.36190406 0.67941982 1.0 Ru Ru34 1 0.00000000 0.13809594 0.17941982 1.0 Ru Ru35 1 0.00000000 0.86190406 0.82058018 1.0