# generated using pymatgen data_Zr12Tc5Ru6Rh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61953467 _cell_length_b 6.54580506 _cell_length_c 13.85063079 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00011500 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr12Tc5Ru6Rh _chemical_formula_sum 'Zr12 Tc5 Ru6 Rh1' _cell_volume 418.82331606 _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 Zr Zr0 1 0.49999900 0.25352607 0.00000000 1.0 Zr Zr1 1 0.49999900 0.74647493 0.00000000 1.0 Zr Zr2 1 0.99998628 0.25181796 0.16877039 1.0 Zr Zr3 1 0.99998628 0.74818404 0.16877039 1.0 Zr Zr4 1 0.49998446 0.24994817 0.33389520 1.0 Zr Zr5 1 0.49998446 0.75005283 0.33389520 1.0 Zr Zr6 1 0.00000000 0.25009589 0.50000000 1.0 Zr Zr7 1 0.00000000 0.74990411 0.50000000 1.0 Zr Zr8 1 0.50001454 0.24994817 0.66610480 1.0 Zr Zr9 1 0.50001454 0.75005283 0.66610480 1.0 Zr Zr10 1 0.00001372 0.25181796 0.83122961 1.0 Zr Zr11 1 0.00001372 0.74818404 0.83122961 1.0 Tc Tc12 1 0.49998553 0.50000100 0.16531057 1.0 Tc Tc13 1 0.99998427 0.00000000 0.33238329 1.0 Tc Tc14 1 0.50000000 0.50000100 0.50000000 1.0 Tc Tc15 1 0.00001573 0.00000000 0.66761571 1.0 Tc Tc16 1 0.50001447 0.50000100 0.83468943 1.0 Ru Ru17 1 0.00000000 0.50000100 0.00000000 1.0 Ru Ru18 1 0.49997258 0.00000000 0.16502968 1.0 Ru Ru19 1 0.99998236 0.50000100 0.33239160 1.0 Ru Ru20 1 0.50000000 0.00000000 0.50000000 1.0 Ru Ru21 1 0.00001764 0.50000100 0.66760840 1.0 Ru Ru22 1 0.50002842 0.00000000 0.83497032 1.0 Rh Rh23 1 0.00000000 0.00000000 0.00000000 1.0