# generated using pymatgen data_TaB12Ru12W11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.97659934 _cell_length_b 8.94556700 _cell_length_c 15.71325559 _cell_angle_alpha 89.93292555 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaB12Ru12W11 _chemical_formula_sum 'Ta1 B12 Ru12 W11' _cell_volume 418.40236512 _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 Ta Ta0 1 0.00000000 0.79447565 0.69754041 1.0 B B1 1 0.50000000 0.60129730 0.49347932 1.0 B B2 1 0.50000000 0.39502984 0.50473055 1.0 B B3 1 0.50000000 0.10394767 0.00547324 1.0 B B4 1 0.50000000 0.89725385 0.99527298 1.0 B B5 1 0.00000000 0.60097582 0.83081697 1.0 B B6 1 0.00000000 0.40033091 0.16809977 1.0 B B7 1 0.00000000 0.09793919 0.66810270 1.0 B B8 1 0.00000000 0.90002330 0.33152056 1.0 B B9 1 0.50000000 0.71199483 0.59203036 1.0 B B10 1 0.50000000 0.28395474 0.40551411 1.0 B B11 1 0.50000000 0.21535578 0.90523674 1.0 B B12 1 0.50000000 0.78671125 0.09508144 1.0 Ru Ru13 1 0.50000000 0.72493115 0.34719134 1.0 Ru Ru14 1 0.50000000 0.27340839 0.65213468 1.0 Ru Ru15 1 0.50000000 0.22564990 0.15224654 1.0 Ru Ru16 1 0.50000000 0.77481487 0.85121427 1.0 Ru Ru17 1 0.50000000 0.51821973 0.08748221 1.0 Ru Ru18 1 0.50000000 0.48328712 0.91231594 1.0 Ru Ru19 1 0.50000000 0.01760849 0.41236054 1.0 Ru Ru20 1 0.50000000 0.97950395 0.58757041 1.0 Ru Ru21 1 0.50000000 0.53203673 0.73899246 1.0 Ru Ru22 1 0.50000000 0.46829623 0.25967019 1.0 Ru Ru23 1 0.50000000 0.03827475 0.76259107 1.0 Ru Ru24 1 0.50000000 0.96801072 0.23960893 1.0 W W25 1 0.00000000 0.79028160 0.49016844 1.0 W W26 1 0.00000000 0.20674951 0.50928756 1.0 W W27 1 0.00000000 0.29234014 0.00866925 1.0 W W28 1 0.00000000 0.70830980 0.99215178 1.0 W W29 1 0.00000000 0.51376995 0.59078056 1.0 W W30 1 0.00000000 0.48161375 0.40671866 1.0 W W31 1 0.00000000 0.01750106 0.90792447 1.0 W W32 1 0.00000000 0.98382311 0.09275725 1.0 W W33 1 0.00000000 0.70966284 0.19436147 1.0 W W34 1 0.00000000 0.29288513 0.80552902 1.0 W W35 1 0.00000000 0.20972892 0.30537680 1.0