# generated using pymatgen data_Tb3Nd16InIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.15567071 _cell_length_b 11.15567071 _cell_length_c 6.44950649 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Nd16InIr12 _chemical_formula_sum 'Tb3 Nd16 In1 Ir12' _cell_volume 802.63456213 _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 Tb Tb0 1 0.00000000 0.00000000 0.00000000 1.0 Tb Tb1 1 0.50000000 0.50000000 0.00000000 1.0 Tb Tb2 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd3 1 0.28059741 0.08530943 0.38552343 1.0 Nd Nd4 1 0.29007600 0.91083552 0.88654630 1.0 Nd Nd5 1 0.70992400 0.08916448 0.88654630 1.0 Nd Nd6 1 0.71940259 0.91469057 0.38552343 1.0 Nd Nd7 1 0.58975541 0.79114700 0.88706833 1.0 Nd Nd8 1 0.58688990 0.20902803 0.38332100 1.0 Nd Nd9 1 0.41311010 0.79097197 0.38332100 1.0 Nd Nd10 1 0.41024459 0.20885300 0.88706833 1.0 Nd Nd11 1 0.20902803 0.41311010 0.61667900 1.0 Nd Nd12 1 0.20885300 0.58975541 0.11293167 1.0 Nd Nd13 1 0.79114700 0.41024459 0.11293167 1.0 Nd Nd14 1 0.79097197 0.58688990 0.61667900 1.0 Nd Nd15 1 0.91083552 0.70992400 0.11345370 1.0 Nd Nd16 1 0.91469057 0.28059741 0.61447657 1.0 Nd Nd17 1 0.08530943 0.71940259 0.61447657 1.0 Nd Nd18 1 0.08916448 0.29007600 0.11345370 1.0 In In19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.85152363 0.15331558 0.24390994 1.0 Ir Ir21 1 0.84668442 0.85152363 0.75609006 1.0 Ir Ir22 1 0.15331558 0.14847637 0.75609006 1.0 Ir Ir23 1 0.14847637 0.84668442 0.24390994 1.0 Ir Ir24 1 0.65066838 0.35072464 0.74643112 1.0 Ir Ir25 1 0.64927536 0.65066838 0.25356888 1.0 Ir Ir26 1 0.35072464 0.34933162 0.25356888 1.0 Ir Ir27 1 0.34933162 0.64927536 0.74643112 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12563558 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61851961 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87436442 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38148039 1.0