# generated using pymatgen data_CeNd(BIr)8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.69009066 _cell_length_b 7.69009066 _cell_length_c 3.96048927 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CeNd(BIr)8 _chemical_formula_sum 'Ce1 Nd1 B8 Ir8' _cell_volume 234.21341216 _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 Ce Ce0 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd1 1 0.00000000 0.00000000 0.50000000 1.0 B B2 1 0.65792861 0.77907782 0.60723811 1.0 B B3 1 0.15820768 0.27831048 0.89096851 1.0 B B4 1 0.27831048 0.84179232 0.10903149 1.0 B B5 1 0.72168952 0.15820768 0.10903149 1.0 B B6 1 0.34207139 0.22092218 0.60723811 1.0 B B7 1 0.84179232 0.72168952 0.89096851 1.0 B B8 1 0.22092218 0.65792861 0.39276189 1.0 B B9 1 0.77907782 0.34207139 0.39276189 1.0 Ir Ir10 1 0.34011404 0.10875416 0.10840951 1.0 Ir Ir11 1 0.65988596 0.89124584 0.10840951 1.0 Ir Ir12 1 0.60874885 0.16111293 0.61010562 1.0 Ir Ir13 1 0.10875416 0.65988596 0.89159049 1.0 Ir Ir14 1 0.16111293 0.39125115 0.38989438 1.0 Ir Ir15 1 0.83888707 0.60874885 0.38989438 1.0 Ir Ir16 1 0.89124584 0.34011404 0.89159049 1.0 Ir Ir17 1 0.39125115 0.83888707 0.61010562 1.0