# generated using pymatgen data_Zr5U(GaRu2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44515341 _cell_length_b 6.30123766 _cell_length_c 13.28419326 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00001577 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr5U(GaRu2)6 _chemical_formula_sum 'Zr5 U1 Ga6 Ru12' _cell_volume 372.08982903 _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 0.49999851 0.00000000 0.16945797 1.0 Zr Zr1 1 0.99999847 0.50000000 0.33570049 1.0 Zr Zr2 1 0.50000000 0.00000000 0.49999900 1.0 Zr Zr3 1 0.00000153 0.50000000 0.66429951 1.0 Zr Zr4 1 0.50000149 0.00000000 0.83054403 1.0 U U5 1 0.00000100 0.50000000 0.00000100 1.0 Ga Ga6 1 0.00000100 0.00000000 0.99999900 1.0 Ga Ga7 1 0.49999889 0.50000000 0.17505975 1.0 Ga Ga8 1 0.99999828 0.00000000 0.33516718 1.0 Ga Ga9 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga10 1 0.00000172 0.00000000 0.66483382 1.0 Ga Ga11 1 0.50000111 0.50000000 0.82493825 1.0 Ru Ru12 1 0.50000000 0.25433098 0.00000000 1.0 Ru Ru13 1 0.50000000 0.74566902 0.00000000 1.0 Ru Ru14 1 0.99999874 0.25719236 0.15930676 1.0 Ru Ru15 1 0.99999874 0.74280764 0.15930676 1.0 Ru Ru16 1 0.49999786 0.24927880 0.33179013 1.0 Ru Ru17 1 0.49999786 0.75072120 0.33179013 1.0 Ru Ru18 1 0.00000000 0.25006548 0.49999900 1.0 Ru Ru19 1 0.00000000 0.74993452 0.49999900 1.0 Ru Ru20 1 0.50000114 0.24928080 0.66820987 1.0 Ru Ru21 1 0.50000114 0.75071920 0.66820987 1.0 Ru Ru22 1 0.00000126 0.25719136 0.84069424 1.0 Ru Ru23 1 0.00000126 0.74280864 0.84069424 1.0