# generated using pymatgen data_Zr4Pd2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.88385625 _cell_length_b 8.88385625 _cell_length_c 8.88385625 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr4Pd2N _chemical_formula_sum 'Zr16 Pd8 N4' _cell_volume 495.78064767 _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 Zr Zr0 1 0.12500000 0.62500000 0.62500000 1.0 Zr Zr1 1 0.62500000 0.12500000 0.62500000 1.0 Zr Zr2 1 0.62500000 0.62500000 0.12500000 1.0 Zr Zr3 1 0.62500000 0.62500000 0.62500000 1.0 Zr Zr4 1 0.81944000 0.81944000 0.18056000 1.0 Zr Zr5 1 0.18056000 0.18056000 0.81944000 1.0 Zr Zr6 1 0.81944000 0.18056000 0.81944000 1.0 Zr Zr7 1 0.18056000 0.81944000 0.18056000 1.0 Zr Zr8 1 0.18056000 0.81944000 0.81944000 1.0 Zr Zr9 1 0.81944000 0.18056000 0.18056000 1.0 Zr Zr10 1 0.43056000 0.43056000 0.06944000 1.0 Zr Zr11 1 0.06944000 0.06944000 0.43056000 1.0 Zr Zr12 1 0.43056000 0.06944000 0.43056000 1.0 Zr Zr13 1 0.06944000 0.43056000 0.06944000 1.0 Zr Zr14 1 0.06944000 0.43056000 0.43056000 1.0 Zr Zr15 1 0.43056000 0.06944000 0.06944000 1.0 Pd Pd16 1 0.76726200 0.41091300 0.41091300 1.0 Pd Pd17 1 0.41091300 0.76726200 0.41091300 1.0 Pd Pd18 1 0.41091300 0.41091300 0.76726200 1.0 Pd Pd19 1 0.41091300 0.41091300 0.41091300 1.0 Pd Pd20 1 0.48273800 0.83908700 0.83908700 1.0 Pd Pd21 1 0.83908700 0.48273800 0.83908700 1.0 Pd Pd22 1 0.83908700 0.83908700 0.48273800 1.0 Pd Pd23 1 0.83908700 0.83908700 0.83908700 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