# generated using pymatgen data_Ta12Re5Tc6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49737508 _cell_length_b 6.36526609 _cell_length_c 13.48791755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00010430 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta12Re5Tc6Ru _chemical_formula_sum 'Ta12 Re5 Tc6 Ru1' _cell_volume 386.11846915 _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 0.50003726 0.25061288 0.00061893 1.0 Ta Ta1 1 0.50003726 0.74938612 0.00061893 1.0 Ta Ta2 1 0.99998930 0.24995104 0.16664907 1.0 Ta Ta3 1 0.99998930 0.75004796 0.16664907 1.0 Ta Ta4 1 0.49997435 0.24999147 0.33333637 1.0 Ta Ta5 1 0.49997435 0.75000853 0.33333637 1.0 Ta Ta6 1 0.99997463 0.24995789 0.50002796 1.0 Ta Ta7 1 0.99997463 0.75004211 0.50002796 1.0 Ta Ta8 1 0.49997276 0.25060396 0.66603952 1.0 Ta Ta9 1 0.49997276 0.74939604 0.66603952 1.0 Ta Ta10 1 0.00006139 0.25128684 0.83333062 1.0 Ta Ta11 1 0.00006139 0.74871216 0.83333062 1.0 Re Re12 1 0.00004462 0.50000100 0.99939853 1.0 Re Re13 1 0.49999984 0.00000000 0.16604140 1.0 Re Re14 1 0.99999762 0.50000100 0.33335136 1.0 Re Re15 1 0.49997873 0.00000000 0.50061130 1.0 Re Re16 1 0.99998728 0.50000100 0.66727291 1.0 Tc Tc17 1 0.00000534 0.00000000 0.99837585 1.0 Tc Tc18 1 0.50000503 0.50000100 0.16611924 1.0 Tc Tc19 1 0.99994672 0.00000000 0.33333505 1.0 Tc Tc20 1 0.49998925 0.50000100 0.50055679 1.0 Tc Tc21 1 0.99995557 0.00000000 0.66828004 1.0 Tc Tc22 1 0.50005262 0.50000100 0.83332784 1.0 Ru Ru23 1 0.50001700 0.00000000 0.83332073 1.0