# generated using pymatgen data_Nd3Y(ScIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.16574239 _cell_length_b 4.33893331 _cell_length_c 8.82104006 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.97103747 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Y(ScIr)4 _chemical_formula_sum 'Nd3 Y1 Sc4 Ir4' _cell_volume 274.26090521 _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 0.48802377 0.25000000 0.32063031 1.0 Nd Nd1 1 0.01155196 0.75000000 0.82577879 1.0 Nd Nd2 1 0.51265667 0.75000000 0.67692630 1.0 Y Y3 1 0.98363296 0.25000000 0.17445358 1.0 Sc Sc4 1 0.86557262 0.25000000 0.56125011 1.0 Sc Sc5 1 0.35892274 0.25000000 0.93848049 1.0 Sc Sc6 1 0.13975259 0.75000000 0.43044317 1.0 Sc Sc7 1 0.63998305 0.75000000 0.06615999 1.0 Ir Ir8 1 0.73332053 0.25000000 0.90558200 1.0 Ir Ir9 1 0.23518188 0.25000000 0.59741961 1.0 Ir Ir10 1 0.26201320 0.75000000 0.10344636 1.0 Ir Ir11 1 0.76938503 0.75000000 0.39942928 1.0