# generated using pymatgen data_Tm3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.19960283 _cell_length_b 7.20780502 _cell_length_c 8.94637243 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm3Ru _chemical_formula_sum 'Tm12 Ru4' _cell_volume 399.77337930 _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 Tm Tm0 1 0.62926976 0.04255395 0.25000000 1.0 Tm Tm1 1 0.37073024 0.95744605 0.75000000 1.0 Tm Tm2 1 0.12926976 0.45744605 0.75000000 1.0 Tm Tm3 1 0.87073024 0.54255395 0.25000000 1.0 Tm Tm4 1 0.16935865 0.17548777 0.06391640 1.0 Tm Tm5 1 0.83064135 0.82451223 0.93608360 1.0 Tm Tm6 1 0.66935865 0.32451223 0.93608360 1.0 Tm Tm7 1 0.83064135 0.82451223 0.56391640 1.0 Tm Tm8 1 0.33064135 0.67548777 0.06391640 1.0 Tm Tm9 1 0.16935865 0.17548777 0.43608360 1.0 Tm Tm10 1 0.33064135 0.67548777 0.43608360 1.0 Tm Tm11 1 0.66935865 0.32451223 0.56391640 1.0 Ru Ru12 1 0.46664199 0.38519648 0.25000000 1.0 Ru Ru13 1 0.53335801 0.61480352 0.75000000 1.0 Ru Ru14 1 0.96664199 0.11480352 0.75000000 1.0 Ru Ru15 1 0.03335801 0.88519648 0.25000000 1.0