# generated using pymatgen data_Ta3B2Ru5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.40653491 _cell_length_b 9.40653491 _cell_length_c 2.99713038 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3B2Ru5 _chemical_formula_sum 'Ta6 B4 Ru10' _cell_volume 265.19478474 _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 Ta Ta0 1 0.82378952 0.67621048 -0.00000000 1.0 Ta Ta1 1 0.17621048 0.32378952 0.00000000 1.0 Ta Ta2 1 0.32378952 0.82378952 0.00000000 1.0 Ta Ta3 1 0.67621048 0.17621048 -0.00000000 1.0 Ta Ta4 1 0.50000000 0.50000000 -0.00000000 1.0 Ta Ta5 1 -0.00000000 -0.00000000 -0.00000000 1.0 B B6 1 0.62135017 0.87864983 -0.00000000 1.0 B B7 1 0.37864983 0.12135017 0.00000000 1.0 B B8 1 0.12135017 0.62135017 0.00000000 1.0 B B9 1 0.87864983 0.37864983 -0.00000000 1.0 Ru Ru10 1 0.57126751 0.71826849 0.50000000 1.0 Ru Ru11 1 0.42873249 0.28173151 0.50000000 1.0 Ru Ru12 1 0.07126751 0.78173151 0.50000000 1.0 Ru Ru13 1 0.92873249 0.21826849 0.50000000 1.0 Ru Ru14 1 0.28173151 0.57126751 0.50000000 1.0 Ru Ru15 1 0.71826849 0.42873249 0.50000000 1.0 Ru Ru16 1 0.21826849 0.07126751 0.50000000 1.0 Ru Ru17 1 0.78173151 0.92873249 0.50000000 1.0 Ru Ru18 1 0.50000000 -0.00000000 0.50000000 1.0 Ru Ru19 1 -0.00000000 0.50000000 0.50000000 1.0