# generated using pymatgen data_Nd4B20IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.22024519 _cell_length_b 5.74603269 _cell_length_c 11.44772500 _cell_angle_alpha 90.28341388 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4B20IrRu _chemical_formula_sum 'Nd4 B20 Ir1 Ru1' _cell_volume 277.60012087 _cell_formula_units_Z 1 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 Nd Nd0 1 0.50000000 0.28871180 0.86444716 1.0 Nd Nd1 1 0.50000000 0.71128820 0.13555284 1.0 Nd Nd2 1 0.50000000 0.78182754 0.62872394 1.0 Nd Nd3 1 0.50000000 0.21817246 0.37127606 1.0 B B4 1 0.00000000 0.12048671 0.54278136 1.0 B B5 1 0.00000000 0.87951329 0.45721864 1.0 B B6 1 0.00000000 0.61976847 0.95726573 1.0 B B7 1 0.00000000 0.38023153 0.04273427 1.0 B B8 1 0.00000000 0.13748882 0.69741183 1.0 B B9 1 0.00000000 0.86251118 0.30258817 1.0 B B10 1 0.29965735 0.21951401 0.11797187 1.0 B B11 1 0.29965735 0.78048599 0.88202813 1.0 B B12 1 0.70109149 0.71890109 0.38199246 1.0 B B13 1 0.70109149 0.28109891 0.61800754 1.0 B B14 1 0.70034265 0.78048599 0.88202813 1.0 B B15 1 0.70034265 0.21951401 0.11797187 1.0 B B16 1 0.29890851 0.28109891 0.61800754 1.0 B B17 1 0.29890851 0.71890109 0.38199246 1.0 B B18 1 0.00000000 0.05635544 0.19251609 1.0 B B19 1 0.00000000 0.94364456 0.80748391 1.0 B B20 1 0.00000000 0.55567551 0.30786913 1.0 B B21 1 0.00000000 0.44432449 0.69213087 1.0 B B22 1 0.00000000 0.36229274 0.19684502 1.0 B B23 1 0.00000000 0.63770726 0.80315498 1.0 Ir Ir24 1 0.00000000 0.00000000 0.00000000 1.0 Ru Ru25 1 0.00000000 0.50000000 0.50000000 1.0