# generated using pymatgen data_NdThGa12Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09777859 _cell_length_b 6.09777859 _cell_length_c 15.42112762 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdThGa12Ir _chemical_formula_sum 'Nd2 Th2 Ga24 Ir2' _cell_volume 573.40230304 _cell_formula_units_Z 2 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 0.25000000 0.75000000 0.76072976 1.0 Nd Nd1 1 0.75000000 0.25000000 0.76072976 1.0 Th Th2 1 0.75000000 0.25000000 0.23948362 1.0 Th Th3 1 0.25000000 0.75000000 0.23948362 1.0 Ga Ga4 1 0.25000000 0.25000000 0.18955607 1.0 Ga Ga5 1 0.75000000 0.75000000 0.18955607 1.0 Ga Ga6 1 0.75000000 0.75000000 0.81193068 1.0 Ga Ga7 1 0.25000000 0.25000000 0.81193068 1.0 Ga Ga8 1 0.25000000 0.25000000 0.34788213 1.0 Ga Ga9 1 0.75000000 0.75000000 0.34788213 1.0 Ga Ga10 1 0.75000000 0.75000000 0.65443573 1.0 Ga Ga11 1 0.25000000 0.25000000 0.65443573 1.0 Ga Ga12 1 0.50017765 0.00017765 0.91413569 1.0 Ga Ga13 1 0.00017765 0.99982235 0.91413569 1.0 Ga Ga14 1 0.49982235 0.50017765 0.91413569 1.0 Ga Ga15 1 0.99982235 0.49982235 0.91413569 1.0 Ga Ga16 1 0.49965395 0.99965395 0.08733154 1.0 Ga Ga17 1 0.99965395 0.00034605 0.08733154 1.0 Ga Ga18 1 0.50034605 0.49965395 0.08733154 1.0 Ga Ga19 1 0.00034605 0.50034605 0.08733154 1.0 Ga Ga20 1 0.58936303 0.08936303 0.42906750 1.0 Ga Ga21 1 0.08936303 0.91063697 0.42906750 1.0 Ga Ga22 1 0.41063697 0.58936303 0.42906750 1.0 Ga Ga23 1 0.91063697 0.41063697 0.42906750 1.0 Ga Ga24 1 0.43124965 0.93124965 0.56665569 1.0 Ga Ga25 1 0.93124965 0.06875035 0.56665569 1.0 Ga Ga26 1 0.56875035 0.43124965 0.56665569 1.0 Ga Ga27 1 0.06875035 0.56875035 0.56665569 1.0 Ir Ir28 1 0.75000000 0.25000000 0.00160317 1.0 Ir Ir29 1 0.25000000 0.75000000 0.00160317 1.0