# generated using pymatgen data_HfZr3Pd2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79740451 _cell_length_b 8.79740423 _cell_length_c 8.79740470 _cell_angle_alpha 60.00000194 _cell_angle_beta 60.00000300 _cell_angle_gamma 60.00000094 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3Pd2N _chemical_formula_sum 'Hf4 Zr12 Pd8 N4' _cell_volume 481.44724002 _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 Hf Hf0 1 0.12500000 0.62500000 0.62500000 1.0 Hf Hf1 1 0.62500000 0.12500000 0.62500000 1.0 Hf Hf2 1 0.62500000 0.62500000 0.12500000 1.0 Hf Hf3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.81843563 0.81843563 0.18156437 1.0 Zr Zr5 1 0.18156437 0.18156437 0.81843563 1.0 Zr Zr6 1 0.81843563 0.18156437 0.81843563 1.0 Zr Zr7 1 0.18156437 0.81843563 0.18156437 1.0 Zr Zr8 1 0.18156437 0.81843563 0.81843563 1.0 Zr Zr9 1 0.81843563 0.18156437 0.18156437 1.0 Zr Zr10 1 0.43156437 0.43156437 0.06843563 1.0 Zr Zr11 1 0.06843563 0.06843563 0.43156437 1.0 Zr Zr12 1 0.43156437 0.06843563 0.43156437 1.0 Zr Zr13 1 0.06843563 0.43156437 0.06843563 1.0 Zr Zr14 1 0.06843563 0.43156437 0.43156437 1.0 Zr Zr15 1 0.43156437 0.06843563 0.06843563 1.0 Pd Pd16 1 0.76677441 0.41107553 0.41107553 1.0 Pd Pd17 1 0.41107553 0.76677441 0.41107553 1.0 Pd Pd18 1 0.41107553 0.41107553 0.76677441 1.0 Pd Pd19 1 0.41107553 0.41107553 0.41107553 1.0 Pd Pd20 1 0.48322559 0.83892447 0.83892447 1.0 Pd Pd21 1 0.83892447 0.48322559 0.83892447 1.0 Pd Pd22 1 0.83892447 0.83892447 0.48322559 1.0 Pd Pd23 1 0.83892447 0.83892447 0.83892447 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0