# generated using pymatgen data_Nd3Tm(ScIr)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13687153 _cell_length_b 4.33798486 _cell_length_c 8.78552645 _cell_angle_alpha 90.00000000 _cell_angle_beta 89.80642624 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd3Tm(ScIr)4 _chemical_formula_sum 'Nd3 Tm1 Sc4 Ir4' _cell_volume 271.99518943 _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 0.48818243 0.25000000 0.31985148 1.0 Nd Nd1 1 0.01095371 0.75000000 0.82596552 1.0 Nd Nd2 1 0.51366240 0.75000000 0.67675720 1.0 Tm Tm3 1 0.98215010 0.25000000 0.17246543 1.0 Sc Sc4 1 0.86739146 0.25000000 0.55916549 1.0 Sc Sc5 1 0.35741984 0.25000000 0.93997449 1.0 Sc Sc6 1 0.14134814 0.75000000 0.42742193 1.0 Sc Sc7 1 0.64044316 0.75000000 0.06830459 1.0 Ir Ir8 1 0.73368022 0.25000000 0.90852003 1.0 Ir Ir9 1 0.23673581 0.25000000 0.59872387 1.0 Ir Ir10 1 0.25698738 0.75000000 0.10598128 1.0 Ir Ir11 1 0.77104435 0.75000000 0.39686969 1.0