# generated using pymatgen data_Er5Ir2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.63049210 _cell_length_b 10.63049210 _cell_length_c 6.36872083 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Er5Ir2Ru _chemical_formula_sum 'Er20 Ir8 Ru4' _cell_volume 719.71234219 _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 0.29344363 0.08624464 0.38172262 1.0 Er Er1 1 0.29344363 0.91375536 0.88172262 1.0 Er Er2 1 0.70655637 0.08624464 0.88172262 1.0 Er Er3 1 0.70655637 0.91375536 0.38172262 1.0 Er Er4 1 0.58624464 0.79344363 0.88172262 1.0 Er Er5 1 0.58624464 0.20655637 0.38172262 1.0 Er Er6 1 0.41375536 0.79344363 0.38172262 1.0 Er Er7 1 0.41375536 0.20655637 0.88172262 1.0 Er Er8 1 0.20655637 0.41375536 0.61827738 1.0 Er Er9 1 0.20655637 0.58624464 0.11827738 1.0 Er Er10 1 0.79344363 0.41375536 0.11827738 1.0 Er Er11 1 0.79344363 0.58624464 0.61827738 1.0 Er Er12 1 0.91375536 0.70655637 0.11827738 1.0 Er Er13 1 0.91375536 0.29344363 0.61827738 1.0 Er Er14 1 0.08624464 0.70655637 0.61827738 1.0 Er Er15 1 0.08624464 0.29344363 0.11827738 1.0 Er Er16 1 0.00000000 0.00000000 0.50000000 1.0 Er Er17 1 0.00000000 0.00000000 0.00000000 1.0 Er Er18 1 0.50000000 0.50000000 0.00000000 1.0 Er Er19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.84752155 0.15247845 0.25000000 1.0 Ir Ir21 1 0.84752155 0.84752155 0.75000000 1.0 Ir Ir22 1 0.15247845 0.15247845 0.75000000 1.0 Ir Ir23 1 0.15247845 0.84752155 0.25000000 1.0 Ir Ir24 1 0.65247845 0.34752155 0.75000000 1.0 Ir Ir25 1 0.65247845 0.65247845 0.25000000 1.0 Ir Ir26 1 0.34752155 0.34752155 0.25000000 1.0 Ir Ir27 1 0.34752155 0.65247845 0.75000000 1.0 Ru Ru28 1 0.50000000 0.00000000 0.13205512 1.0 Ru Ru29 1 0.50000000 0.00000000 0.63205512 1.0 Ru Ru30 1 0.00000000 0.50000000 0.86794488 1.0 Ru Ru31 1 0.00000000 0.50000000 0.36794488 1.0