# generated using pymatgen data_Nd4TmIr2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65244442 _cell_length_b 7.20660045 _cell_length_c 8.84473672 _cell_angle_alpha 96.14665196 _cell_angle_beta 112.09034453 _cell_angle_gamma 90.00000217 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd4TmIr2 _chemical_formula_sum 'Nd8 Tm2 Ir4' _cell_volume 390.27074764 _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 0.97472731 0.92128709 0.18138123 1.0 Nd Nd1 1 0.79334507 0.57871291 0.81861877 1.0 Nd Nd2 1 0.02527269 0.07871291 0.81861877 1.0 Nd Nd3 1 0.20665493 0.42128709 0.18138123 1.0 Nd Nd4 1 0.64721315 0.81273397 0.43098361 1.0 Nd Nd5 1 0.21622854 0.68726603 0.56901639 1.0 Nd Nd6 1 0.35278685 0.18726603 0.56901639 1.0 Nd Nd7 1 0.78377146 0.31273397 0.43098361 1.0 Tm Tm8 1 0.43966622 0.75000000 0.00000000 1.0 Tm Tm9 1 0.56033378 0.25000000 1.00000000 1.0 Ir Ir10 1 0.80878573 0.56848541 0.20693414 1.0 Ir Ir11 1 0.60185059 0.93151459 0.79306586 1.0 Ir Ir12 1 0.19121527 0.43151459 0.79306586 1.0 Ir Ir13 1 0.39814941 0.06848541 0.20693414 1.0