# generated using pymatgen data_Er8Hg3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.98497396 _cell_length_b 9.98497354 _cell_length_c 7.16429774 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000141 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er8Hg3Ru _chemical_formula_sum 'Er16 Hg6 Ru2' _cell_volume 618.58317958 _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 Er Er0 1 0.00000000 0.00000000 0.26032296 1.0 Er Er1 1 0.00000000 0.00000000 0.76032296 1.0 Er Er2 1 0.17298942 0.82701058 0.98094874 1.0 Er Er3 1 0.82701058 0.17298942 0.48094874 1.0 Er Er4 1 0.17298942 0.34597785 0.98094874 1.0 Er Er5 1 0.65402215 0.82701058 0.98094874 1.0 Er Er6 1 0.34597785 0.17298942 0.48094874 1.0 Er Er7 1 0.82701058 0.65402215 0.48094874 1.0 Er Er8 1 0.33333300 0.66666700 0.67936994 1.0 Er Er9 1 0.66666700 0.33333300 0.17936994 1.0 Er Er10 1 0.46106970 0.53893030 0.29430921 1.0 Er Er11 1 0.53893030 0.46106970 0.79430921 1.0 Er Er12 1 0.46106970 0.92214041 0.29430921 1.0 Er Er13 1 0.07785959 0.53893030 0.29430921 1.0 Er Er14 1 0.92214041 0.46106970 0.79430921 1.0 Er Er15 1 0.53893030 0.07785959 0.79430921 1.0 Hg Hg16 1 0.16719032 0.83280968 0.55020108 1.0 Hg Hg17 1 0.83280968 0.16719032 0.05020108 1.0 Hg Hg18 1 0.16719032 0.33437964 0.55020108 1.0 Hg Hg19 1 0.66562036 0.83280968 0.55020108 1.0 Hg Hg20 1 0.33437964 0.16719032 0.05020108 1.0 Hg Hg21 1 0.83280968 0.66562036 0.05020108 1.0 Ru Ru22 1 0.33333300 0.66666700 0.05699000 1.0 Ru Ru23 1 0.66666700 0.33333300 0.55699000 1.0