# generated using pymatgen data_Ce3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09889500 _cell_length_b 6.96746300 _cell_length_c 9.76127900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ce3Ru _chemical_formula_sum 'Ce12 Ru4' _cell_volume 414.79408408 _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 Ce Ce0 1 0.65617300 0.16535800 0.05871100 1.0 Ce Ce1 1 0.34739900 0.54171800 0.25000000 1.0 Ce Ce2 1 0.84382700 0.66535800 0.05871100 1.0 Ce Ce3 1 0.15617300 0.33464200 0.94128900 1.0 Ce Ce4 1 0.34382700 0.83464200 0.94128900 1.0 Ce Ce5 1 0.65260100 0.45828200 0.75000000 1.0 Ce Ce6 1 0.84739900 0.95828200 0.75000000 1.0 Ce Ce7 1 0.34382700 0.83464200 0.55871100 1.0 Ce Ce8 1 0.15617300 0.33464200 0.55871100 1.0 Ce Ce9 1 0.84382700 0.66535800 0.44128900 1.0 Ce Ce10 1 0.15260100 0.04171800 0.25000000 1.0 Ce Ce11 1 0.65617300 0.16535800 0.44128900 1.0 Ru Ru12 1 0.93343800 0.36260400 0.25000000 1.0 Ru Ru13 1 0.43343800 0.13739600 0.75000000 1.0 Ru Ru14 1 0.56656200 0.86260400 0.25000000 1.0 Ru Ru15 1 0.06656200 0.63739600 0.75000000 1.0