# generated using pymatgen data_Pr4NdIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.30818523 _cell_length_b 11.30818523 _cell_length_c 6.57694308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pr4NdIr3 _chemical_formula_sum 'Pr16 Nd4 Ir12' _cell_volume 841.02694576 _cell_formula_units_Z 4 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 Pr Pr0 1 0.09024072 0.29182869 0.11538811 1.0 Pr Pr1 1 0.79182869 0.40975928 0.11538811 1.0 Pr Pr2 1 0.20817131 0.59024072 0.11538811 1.0 Pr Pr3 1 0.90975928 0.70817131 0.11538811 1.0 Pr Pr4 1 0.40975928 0.79182869 0.38461189 1.0 Pr Pr5 1 0.59024072 0.20817131 0.38461189 1.0 Pr Pr6 1 0.29182869 0.09024072 0.38461189 1.0 Pr Pr7 1 0.70817131 0.90975928 0.38461189 1.0 Pr Pr8 1 0.40975928 0.20817131 0.88461189 1.0 Pr Pr9 1 0.70817131 0.09024072 0.88461189 1.0 Pr Pr10 1 0.29182869 0.90975928 0.88461189 1.0 Pr Pr11 1 0.59024072 0.79182869 0.88461189 1.0 Pr Pr12 1 0.09024072 0.70817131 0.61538811 1.0 Pr Pr13 1 0.90975928 0.29182869 0.61538811 1.0 Pr Pr14 1 0.20817131 0.40975928 0.61538811 1.0 Pr Pr15 1 0.79182869 0.59024072 0.61538811 1.0 Nd Nd16 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd17 1 0.50000000 0.50000000 0.00000000 1.0 Nd Nd18 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd19 1 0.00000000 0.00000000 0.50000000 1.0 Ir Ir20 1 0.15265700 0.84734300 0.25000000 1.0 Ir Ir21 1 0.34734300 0.34734300 0.25000000 1.0 Ir Ir22 1 0.65265700 0.65265700 0.25000000 1.0 Ir Ir23 1 0.84734300 0.15265700 0.25000000 1.0 Ir Ir24 1 0.34734300 0.65265700 0.75000000 1.0 Ir Ir25 1 0.15265700 0.15265700 0.75000000 1.0 Ir Ir26 1 0.84734300 0.84734300 0.75000000 1.0 Ir Ir27 1 0.65265700 0.34734300 0.75000000 1.0 Ir Ir28 1 0.00000000 0.50000000 0.38045489 1.0 Ir Ir29 1 0.50000000 0.00000000 0.11954511 1.0 Ir Ir30 1 0.50000000 0.00000000 0.61954511 1.0 Ir Ir31 1 0.00000000 0.50000000 0.88045489 1.0