# generated using pymatgen data_Nd5(In2Ir)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.78877200 _cell_length_b 8.23846275 _cell_length_c 18.52417011 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd5(In2Ir)2 _chemical_formula_sum 'Nd10 In8 Ir4' _cell_volume 578.20709178 _cell_formula_units_Z 2 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 0.00000000 0.11474036 0.41069160 1.0 Nd Nd1 1 0.00000000 0.88525964 0.58930840 1.0 Nd Nd2 1 0.00000000 0.38525964 0.91069160 1.0 Nd Nd3 1 0.00000000 0.61474036 0.08930840 1.0 Nd Nd4 1 0.00000000 0.24009345 0.22278434 1.0 Nd Nd5 1 0.00000000 0.75990655 0.77721566 1.0 Nd Nd6 1 0.00000000 0.25990655 0.72278434 1.0 Nd Nd7 1 0.00000000 0.74009345 0.27721566 1.0 Nd Nd8 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd9 1 0.00000000 0.50000000 0.50000000 1.0 In In10 1 0.50000000 0.43649130 0.35041577 1.0 In In11 1 0.50000000 0.56350870 0.64958423 1.0 In In12 1 0.50000000 0.06350870 0.85041577 1.0 In In13 1 0.50000000 0.93649130 0.14958423 1.0 In In14 1 0.50000000 0.29036364 0.07038341 1.0 In In15 1 0.50000000 0.70963636 0.92961659 1.0 In In16 1 0.50000000 0.20963636 0.57038341 1.0 In In17 1 0.50000000 0.79036364 0.42961659 1.0 Ir Ir18 1 0.50000000 0.00675786 0.30407831 1.0 Ir Ir19 1 0.50000000 0.99324214 0.69592169 1.0 Ir Ir20 1 0.50000000 0.49324214 0.80407831 1.0 Ir Ir21 1 0.50000000 0.50675786 0.19592169 1.0