# generated using pymatgen data_ErRu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.19971513 _cell_length_b 5.19971500 _cell_length_c 8.86948379 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000075 _symmetry_Int_Tables_number 1 _chemical_formula_structural ErRu2 _chemical_formula_sum 'Er4 Ru8' _cell_volume 207.67683876 _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 Er Er0 1 0.33333300 0.66666700 0.43272527 1.0 Er Er1 1 0.66666700 0.33333300 0.56727473 1.0 Er Er2 1 0.66666700 0.33333300 0.93272527 1.0 Er Er3 1 0.33333300 0.66666700 0.06727473 1.0 Ru Ru4 1 0.17088569 0.34177338 0.75000000 1.0 Ru Ru5 1 0.17088569 0.82911431 0.75000000 1.0 Ru Ru6 1 0.34177338 0.17088569 0.25000000 1.0 Ru Ru7 1 0.82911431 0.65822662 0.25000000 1.0 Ru Ru8 1 0.65822662 0.82911431 0.75000000 1.0 Ru Ru9 1 0.00000000 0.00000000 -0.00000000 1.0 Ru Ru10 1 0.82911431 0.17088569 0.25000000 1.0 Ru Ru11 1 0.00000000 0.00000000 0.50000000 1.0