# generated using pymatgen data_Hf2Zr3GaRu6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52990084 _cell_length_b 6.43469613 _cell_length_c 13.60454561 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00047144 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Zr3GaRu6 _chemical_formula_sum 'Hf4 Zr6 Ga2 Ru12' _cell_volume 396.55257937 _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 Hf Hf0 1 0.99996742 0.50000100 0.99546581 1.0 Hf Hf1 1 0.49997459 0.00000000 0.16292310 1.0 Hf Hf2 1 0.00000149 0.50000100 0.33706614 1.0 Hf Hf3 1 0.50003534 0.00000000 0.50452308 1.0 Zr Zr4 1 0.99995369 0.00000000 0.98936001 1.0 Zr Zr5 1 0.49996196 0.50000100 0.16560720 1.0 Zr Zr6 1 0.00001625 0.00000000 0.33437959 1.0 Zr Zr7 1 0.50002719 0.50000100 0.51064333 1.0 Zr Zr8 1 0.00003954 0.00000000 0.67586958 1.0 Zr Zr9 1 0.49999485 0.50000100 0.82412746 1.0 Ga Ga10 1 0.00001958 0.50000100 0.66771490 1.0 Ga Ga11 1 0.49999908 0.00000000 0.83234855 1.0 Ru Ru12 1 0.49996097 0.25161360 0.99804930 1.0 Ru Ru13 1 0.49996097 0.74838640 0.99804930 1.0 Ru Ru14 1 0.99997347 0.24906912 0.16553791 1.0 Ru Ru15 1 0.99997347 0.75092988 0.16553791 1.0 Ru Ru16 1 0.50000704 0.25093439 0.33444002 1.0 Ru Ru17 1 0.50000704 0.74906761 0.33444002 1.0 Ru Ru18 1 0.00003426 0.24839334 0.50195146 1.0 Ru Ru19 1 0.00003426 0.75160566 0.50195146 1.0 Ru Ru20 1 0.50003238 0.24526777 0.66620892 1.0 Ru Ru21 1 0.50003238 0.75473423 0.66620892 1.0 Ru Ru22 1 0.99999439 0.25472258 0.83379901 1.0 Ru Ru23 1 0.99999439 0.74527642 0.83379901 1.0