# generated using pymatgen data_Tb3Nd16MgIr12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.14364135 _cell_length_b 11.14364135 _cell_length_c 6.45780238 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Nd16MgIr12 _chemical_formula_sum 'Tb3 Nd16 Mg1 Ir12' _cell_volume 801.93469464 _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 0.28021654 0.08485807 0.38511223 1.0 Nd Nd4 1 0.28961670 0.91095448 0.88622262 1.0 Nd Nd5 1 0.71038330 0.08904552 0.88622262 1.0 Nd Nd6 1 0.71978346 0.91514193 0.38511223 1.0 Nd Nd7 1 0.59010039 0.79114592 0.88610295 1.0 Nd Nd8 1 0.58617809 0.20880476 0.38376187 1.0 Nd Nd9 1 0.41382191 0.79119524 0.38376187 1.0 Nd Nd10 1 0.40989961 0.20885408 0.88610295 1.0 Nd Nd11 1 0.20880476 0.41382191 0.61623813 1.0 Nd Nd12 1 0.20885408 0.59010039 0.11389705 1.0 Nd Nd13 1 0.79114592 0.40989961 0.11389705 1.0 Nd Nd14 1 0.79119524 0.58617809 0.61623813 1.0 Nd Nd15 1 0.91095448 0.71038330 0.11377738 1.0 Nd Nd16 1 0.91514193 0.28021654 0.61488777 1.0 Nd Nd17 1 0.08485807 0.71978346 0.61488777 1.0 Nd Nd18 1 0.08904552 0.28961670 0.11377738 1.0 Mg Mg19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.85192055 0.15222314 0.24505921 1.0 Ir Ir21 1 0.84777686 0.85192055 0.75494079 1.0 Ir Ir22 1 0.15222314 0.14807945 0.75494079 1.0 Ir Ir23 1 0.14807945 0.84777686 0.24505921 1.0 Ir Ir24 1 0.65021329 0.35001545 0.74751711 1.0 Ir Ir25 1 0.64998455 0.65021329 0.25248289 1.0 Ir Ir26 1 0.35001545 0.34978671 0.25248289 1.0 Ir Ir27 1 0.34978671 0.64998455 0.74751711 1.0 Ir Ir28 1 0.50000000 0.00000000 0.12402837 1.0 Ir Ir29 1 0.50000000 0.00000000 0.61813830 1.0 Ir Ir30 1 0.00000000 0.50000000 0.87597163 1.0 Ir Ir31 1 0.00000000 0.50000000 0.38186170 1.0