# generated using pymatgen data_Lu10Hg3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.33133845 _cell_length_b 9.33163725 _cell_length_c 9.36732391 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00171194 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu10Hg3Ru _chemical_formula_sum 'Lu20 Hg6 Ru2' _cell_volume 706.38337200 _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 Lu Lu0 1 0.00000000 0.00000000 0.50000000 1.0 Lu Lu1 1 0.00000000 0.00000000 0.00000000 1.0 Lu Lu2 1 0.20981944 0.79019724 0.44069223 1.0 Lu Lu3 1 0.20983559 0.41963390 0.44070274 1.0 Lu Lu4 1 0.58037391 0.79017374 0.44070932 1.0 Lu Lu5 1 0.79018056 0.20980276 0.55930777 1.0 Lu Lu6 1 0.79016441 0.58036610 0.55929726 1.0 Lu Lu7 1 0.41962609 0.20982626 0.55929068 1.0 Lu Lu8 1 0.79018056 0.20980276 0.94069223 1.0 Lu Lu9 1 0.79016441 0.58036610 0.94070274 1.0 Lu Lu10 1 0.41962609 0.20982626 0.94070932 1.0 Lu Lu11 1 0.20981944 0.79019724 0.05930777 1.0 Lu Lu12 1 0.20983559 0.41963390 0.05929726 1.0 Lu Lu13 1 0.58037391 0.79017374 0.05929068 1.0 Lu Lu14 1 0.54081852 0.45916025 0.25000000 1.0 Lu Lu15 1 0.54081682 0.08165697 0.25000000 1.0 Lu Lu16 1 0.91835013 0.45918033 0.25000000 1.0 Lu Lu17 1 0.45918148 0.54083975 0.75000000 1.0 Lu Lu18 1 0.45918318 0.91834303 0.75000000 1.0 Lu Lu19 1 0.08164987 0.54081967 0.75000000 1.0 Hg Hg20 1 0.88114379 0.11895312 0.25000000 1.0 Hg Hg21 1 0.88114761 0.76218656 0.25000000 1.0 Hg Hg22 1 0.23781016 0.11889402 0.25000000 1.0 Hg Hg23 1 0.11885621 0.88104688 0.75000000 1.0 Hg Hg24 1 0.11885239 0.23781344 0.75000000 1.0 Hg Hg25 1 0.76218984 0.88110598 0.75000000 1.0 Ru Ru26 1 0.33316108 0.66670100 0.25000000 1.0 Ru Ru27 1 0.66683892 0.33329900 0.75000000 1.0