# generated using pymatgen data_TaB3Ru3W2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.02134609 _cell_length_b 8.91286415 _cell_length_c 15.70122677 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB3Ru3W2 _chemical_formula_sum 'Ta4 B12 Ru12 W8' _cell_volume 422.81593774 _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 Ta Ta0 1 0.00000000 0.69739144 0.19948780 1.0 Ta Ta1 1 0.00000000 0.30260856 0.80051220 1.0 Ta Ta2 1 0.00000000 0.19739144 0.30051220 1.0 Ta Ta3 1 0.00000000 0.80260856 0.69948780 1.0 B B4 1 0.50000000 0.60447527 0.49554064 1.0 B B5 1 0.50000000 0.39552473 0.50445936 1.0 B B6 1 0.50000000 0.10447527 0.00445936 1.0 B B7 1 0.50000000 0.89552473 0.99554064 1.0 B B8 1 0.00000000 0.60225963 0.83116987 1.0 B B9 1 0.00000000 0.39774037 0.16883013 1.0 B B10 1 0.00000000 0.10225963 0.66883013 1.0 B B11 1 0.00000000 0.89774037 0.33116987 1.0 B B12 1 0.50000000 0.71180332 0.59449096 1.0 B B13 1 0.50000000 0.28819668 0.40550904 1.0 B B14 1 0.50000000 0.21180332 0.90550904 1.0 B B15 1 0.50000000 0.78819668 0.09449096 1.0 Ru Ru16 1 0.50000000 0.72407380 0.35094215 1.0 Ru Ru17 1 0.50000000 0.27592620 0.64905785 1.0 Ru Ru18 1 0.50000000 0.22407380 0.14905785 1.0 Ru Ru19 1 0.50000000 0.77592620 0.85094215 1.0 Ru Ru20 1 0.50000000 0.51838085 0.08924823 1.0 Ru Ru21 1 0.50000000 0.48161915 0.91075177 1.0 Ru Ru22 1 0.50000000 0.01838085 0.41075177 1.0 Ru Ru23 1 0.50000000 0.98161915 0.58924823 1.0 Ru Ru24 1 0.50000000 0.54616953 0.73535235 1.0 Ru Ru25 1 0.50000000 0.45383047 0.26464765 1.0 Ru Ru26 1 0.50000000 0.04616953 0.76464765 1.0 Ru Ru27 1 0.50000000 0.95383047 0.23535235 1.0 W W28 1 0.00000000 0.79149467 0.49275265 1.0 W W29 1 0.00000000 0.20850533 0.50724735 1.0 W W30 1 0.00000000 0.29149467 0.00724735 1.0 W W31 1 0.00000000 0.70850533 0.99275265 1.0 W W32 1 0.00000000 0.51320621 0.59034770 1.0 W W33 1 0.00000000 0.48679379 0.40965230 1.0 W W34 1 0.00000000 0.01320621 0.90965230 1.0 W W35 1 0.00000000 0.98679379 0.09034770 1.0