# generated using pymatgen data_Lu3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.13557900 _cell_length_b 7.22038400 _cell_length_c 8.91286800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Lu3Ru _chemical_formula_sum 'Lu12 Ru4' _cell_volume 394.85107265 _cell_formula_units_Z 4 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 0.33339800 0.67655000 0.06324100 1.0 Lu Lu1 1 0.16660200 0.17655000 0.43675900 1.0 Lu Lu2 1 0.66660200 0.32345000 0.56324100 1.0 Lu Lu3 1 0.83339800 0.82345000 0.93675900 1.0 Lu Lu4 1 0.66660200 0.32345000 0.93675900 1.0 Lu Lu5 1 0.83339800 0.82345000 0.56324100 1.0 Lu Lu6 1 0.33339800 0.67655000 0.43675900 1.0 Lu Lu7 1 0.16660200 0.17655000 0.06324100 1.0 Lu Lu8 1 0.86870300 0.54052800 0.25000000 1.0 Lu Lu9 1 0.63129700 0.04052800 0.25000000 1.0 Lu Lu10 1 0.13129700 0.45947200 0.75000000 1.0 Lu Lu11 1 0.36870300 0.95947200 0.75000000 1.0 Ru Ru12 1 0.03984600 0.88408500 0.25000000 1.0 Ru Ru13 1 0.46015400 0.38408500 0.25000000 1.0 Ru Ru14 1 0.96015400 0.11591500 0.75000000 1.0 Ru Ru15 1 0.53984600 0.61591500 0.75000000 1.0