# generated using pymatgen data_Nd2Tm(InIr6)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.18787035 _cell_length_b 8.88580853 _cell_length_c 8.88580853 _cell_angle_alpha 89.71024245 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Tm(InIr6)3 _chemical_formula_sum 'Nd2 Tm1 In3 Ir18' _cell_volume 409.61651917 _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 0.00000000 0.49952359 0.50535326 1.0 Nd Nd1 1 0.00000000 0.00535326 0.99952359 1.0 Tm Tm2 1 0.00000000 0.61755913 0.11755913 1.0 In In3 1 0.00000000 0.37840037 0.87840037 1.0 In In4 1 0.00000000 0.88011616 0.62015641 1.0 In In5 1 0.00000000 0.12015641 0.38011616 1.0 Ir Ir6 1 0.75702476 0.18125281 0.68125281 1.0 Ir Ir7 1 0.75606813 0.82105547 0.32105547 1.0 Ir Ir8 1 0.75629528 0.31755217 0.18107625 1.0 Ir Ir9 1 0.75629528 0.68107625 0.81755217 1.0 Ir Ir10 1 0.24393187 0.82105547 0.32105547 1.0 Ir Ir11 1 0.24297524 0.18125281 0.68125281 1.0 Ir Ir12 1 0.24370472 0.68107625 0.81755217 1.0 Ir Ir13 1 0.24370472 0.31755217 0.18107625 1.0 Ir Ir14 1 0.50000000 0.70277888 0.55423334 1.0 Ir Ir15 1 0.50000000 0.29798598 0.44317998 1.0 Ir Ir16 1 0.50000000 0.79366905 0.05829430 1.0 Ir Ir17 1 0.50000000 0.20280500 0.94406691 1.0 Ir Ir18 1 0.50000000 0.55829430 0.29366905 1.0 Ir Ir19 1 0.50000000 0.44406691 0.70280500 1.0 Ir Ir20 1 0.50000000 0.05423334 0.20277888 1.0 Ir Ir21 1 0.50000000 0.94317998 0.79798598 1.0 Ir Ir22 1 0.50000000 0.00195634 0.50195634 1.0 Ir Ir23 1 0.50000000 0.49804788 0.99804788 1.0