# generated using pymatgen data_HfNb2(GaRu2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38334903 _cell_length_b 6.19482633 _cell_length_c 13.13768724 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.99985135 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfNb2(GaRu2)3 _chemical_formula_sum 'Hf2 Nb4 Ga6 Ru12' _cell_volume 356.74188880 _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 0.99999748 0.49999900 0.99990646 1.0 Hf Hf1 1 0.49992722 0.00000000 0.16671595 1.0 Nb Nb2 1 0.00000753 0.49999900 0.33280958 1.0 Nb Nb3 1 0.49999616 0.00000000 0.49973548 1.0 Nb Nb4 1 0.00005586 0.49999900 0.66694021 1.0 Nb Nb5 1 0.50008165 0.00000000 0.83381267 1.0 Ga Ga6 1 0.99999630 0.00000000 0.00081388 1.0 Ga Ga7 1 0.49993897 0.49999900 0.16599839 1.0 Ga Ga8 1 0.99992946 0.00000000 0.33313944 1.0 Ga Ga9 1 0.49999397 0.49999900 0.50068460 1.0 Ga Ga10 1 0.00006915 0.00000000 0.66608026 1.0 Ga Ga11 1 0.50004178 0.49999900 0.83330543 1.0 Ru Ru12 1 0.49999757 0.24723580 0.99738044 1.0 Ru Ru13 1 0.49999757 0.75276420 0.99738044 1.0 Ru Ru14 1 0.99993212 0.25284503 0.16927584 1.0 Ru Ru15 1 0.99993212 0.74715497 0.16927584 1.0 Ru Ru16 1 0.49993242 0.25232085 0.33652942 1.0 Ru Ru17 1 0.49993242 0.74767915 0.33652942 1.0 Ru Ru18 1 0.99999827 0.24917585 0.50081218 1.0 Ru Ru19 1 0.99999827 0.75082415 0.50081218 1.0 Ru Ru20 1 0.50005982 0.25074375 0.66586253 1.0 Ru Ru21 1 0.50005982 0.74925625 0.66586253 1.0 Ru Ru22 1 0.00006352 0.24762009 0.83016943 1.0 Ru Ru23 1 0.00006352 0.75237991 0.83016943 1.0