# generated using pymatgen data_Ta6Nb(B4Ru3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.54359741 _cell_length_b 9.54360897 _cell_length_c 3.10780255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99794160 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6Nb(B4Ru3)2 _chemical_formula_sum 'Ta6 Nb1 B8 Ru6' _cell_volume 245.14204565 _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 0.72388132 0.63741428 0.00000000 1.0 Ta Ta1 1 0.36257872 0.08643999 0.00000000 1.0 Ta Ta2 1 0.91352623 0.27611419 0.00000000 1.0 Ta Ta3 1 0.27611868 0.36258572 0.00000000 1.0 Ta Ta4 1 0.63742128 0.91356001 0.00000000 1.0 Ta Ta5 1 0.08647377 0.72388581 0.00000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 B B7 1 0.66665673 0.33332332 0.00000000 1.0 B B8 1 0.33334327 0.66667668 0.00000000 1.0 B B9 1 0.15446988 0.93422098 0.50000000 1.0 B B10 1 0.06579753 0.22026357 0.50000000 1.0 B B11 1 0.77974467 0.84554770 0.50000000 1.0 B B12 1 0.84553012 0.06577902 0.50000000 1.0 B B13 1 0.93420247 0.77973643 0.50000000 1.0 B B14 1 0.22025533 0.15445230 0.50000000 1.0 Ru Ru15 1 0.36015145 0.84605166 0.50000000 1.0 Ru Ru16 1 0.15397051 0.51411075 0.50000000 1.0 Ru Ru17 1 0.48590031 0.63986569 0.50000000 1.0 Ru Ru18 1 0.63984855 0.15394834 0.50000000 1.0 Ru Ru19 1 0.84602949 0.48588925 0.50000000 1.0 Ru Ru20 1 0.51409969 0.36013431 0.50000000 1.0