# generated using pymatgen data_NdEr3(ScIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.08585141 _cell_length_b 4.27190823 _cell_length_c 8.68783066 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.30994931 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdEr3(ScIr)4 _chemical_formula_sum 'Nd1 Er3 Sc4 Ir4' _cell_volume 262.96249054 _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 0.50974157 0.75000000 0.67459461 1.0 Er Er1 1 0.98369053 0.25000000 0.17216534 1.0 Er Er2 1 0.48406436 0.25000000 0.32624677 1.0 Er Er3 1 0.01679630 0.75000000 0.83162834 1.0 Sc Sc4 1 0.85997581 0.25000000 0.56575749 1.0 Sc Sc5 1 0.36129667 0.25000000 0.94002585 1.0 Sc Sc6 1 0.13896136 0.75000000 0.42904758 1.0 Sc Sc7 1 0.64458962 0.75000000 0.07019930 1.0 Ir Ir8 1 0.74694324 0.25000000 0.89981492 1.0 Ir Ir9 1 0.23409990 0.25000000 0.59735203 1.0 Ir Ir10 1 0.25929405 0.75000000 0.10352736 1.0 Ir Ir11 1 0.76054759 0.75000000 0.38964040 1.0