# generated using pymatgen data_Nd4TmIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14301715 _cell_length_b 11.14301715 _cell_length_c 6.46754130 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4TmIr3 _chemical_formula_sum 'Nd16 Tm4 Ir12' _cell_volume 803.05410904 _cell_formula_units_Z 4 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 0.28863252 0.08712442 0.38347314 1.0 Nd Nd1 1 0.28863252 0.91287558 0.88347314 1.0 Nd Nd2 1 0.71136748 0.08712442 0.88347314 1.0 Nd Nd3 1 0.71136748 0.91287558 0.38347314 1.0 Nd Nd4 1 0.58712442 0.78863252 0.88347314 1.0 Nd Nd5 1 0.58712442 0.21136748 0.38347314 1.0 Nd Nd6 1 0.41287558 0.78863252 0.38347314 1.0 Nd Nd7 1 0.41287558 0.21136748 0.88347314 1.0 Nd Nd8 1 0.21136748 0.41287558 0.61652686 1.0 Nd Nd9 1 0.21136748 0.58712442 0.11652686 1.0 Nd Nd10 1 0.78863252 0.41287558 0.11652686 1.0 Nd Nd11 1 0.78863252 0.58712442 0.61652686 1.0 Nd Nd12 1 0.91287558 0.71136748 0.11652686 1.0 Nd Nd13 1 0.91287558 0.28863252 0.61652686 1.0 Nd Nd14 1 0.08712442 0.71136748 0.61652686 1.0 Nd Nd15 1 0.08712442 0.28863252 0.11652686 1.0 Tm Tm16 1 0.00000000 0.00000000 0.50000000 1.0 Tm Tm17 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm18 1 0.50000000 0.50000000 0.00000000 1.0 Tm Tm19 1 0.50000000 0.50000000 0.50000000 1.0 Ir Ir20 1 0.85267598 0.14732402 0.25000000 1.0 Ir Ir21 1 0.85267598 0.85267598 0.75000000 1.0 Ir Ir22 1 0.14732402 0.14732402 0.75000000 1.0 Ir Ir23 1 0.14732402 0.85267598 0.25000000 1.0 Ir Ir24 1 0.64732402 0.35267598 0.75000000 1.0 Ir Ir25 1 0.64732402 0.64732402 0.25000000 1.0 Ir Ir26 1 0.35267598 0.35267598 0.25000000 1.0 Ir Ir27 1 0.35267598 0.64732402 0.75000000 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12029512 1.0 Ir Ir29 1 0.50000000 0.00000000 0.62029512 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87970488 1.0 Ir Ir31 1 0.00000000 0.50000000 0.37970488 1.0