# generated using pymatgen data_Nd6Sc4Al12Ir7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.17798566 _cell_length_b 9.17798686 _cell_length_c 9.17798696 _cell_angle_alpha 59.99999961 _cell_angle_beta 59.99999528 _cell_angle_gamma 60.00000530 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Sc4Al12Ir7 _chemical_formula_sum 'Nd6 Sc4 Al12 Ir7' _cell_volume 546.67252234 _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 0.70516061 0.70516061 0.29483939 1.0 Nd Nd1 1 0.29483939 0.70516061 0.29483939 1.0 Nd Nd2 1 0.70516061 0.29483939 0.29483939 1.0 Nd Nd3 1 0.29483939 0.29483939 0.70516061 1.0 Nd Nd4 1 0.70516061 0.29483939 0.70516061 1.0 Nd Nd5 1 0.29483939 0.70516061 0.70516061 1.0 Sc Sc6 1 0.88145423 0.88145423 0.35563830 1.0 Sc Sc7 1 0.88145423 0.35563830 0.88145423 1.0 Sc Sc8 1 0.35563830 0.88145423 0.88145423 1.0 Sc Sc9 1 0.88145423 0.88145423 0.88145423 1.0 Al Al10 1 0.12072259 0.12072259 0.63783224 1.0 Al Al11 1 0.12072259 0.63783224 0.12072259 1.0 Al Al12 1 0.63783224 0.12072259 0.12072259 1.0 Al Al13 1 0.12072259 0.12072259 0.12072259 1.0 Al Al14 1 0.67170847 0.67170847 0.98487358 1.0 Al Al15 1 0.67170847 0.98487358 0.67170847 1.0 Al Al16 1 0.98487358 0.67170847 0.67170847 1.0 Al Al17 1 0.67170847 0.67170847 0.67170847 1.0 Al Al18 1 0.32611537 0.32611537 0.02165489 1.0 Al Al19 1 0.32611537 0.02165489 0.32611537 1.0 Al Al20 1 0.02165489 0.32611537 0.32611537 1.0 Al Al21 1 0.32611537 0.32611537 0.32611537 1.0 Ir Ir22 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir23 1 0.00175247 0.00175247 0.49824753 1.0 Ir Ir24 1 0.49824753 0.00175247 0.49824753 1.0 Ir Ir25 1 0.00175247 0.49824753 0.49824753 1.0 Ir Ir26 1 0.49824753 0.49824753 0.00175247 1.0 Ir Ir27 1 0.00175247 0.49824753 0.00175247 1.0 Ir Ir28 1 0.49824753 0.00175247 0.00175247 1.0