# generated using pymatgen data_HfZr3(HgPd2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.50900802 _cell_length_b 7.50900732 _cell_length_c 6.72931802 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.41262432 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr3(HgPd2)2 _chemical_formula_sum 'Hf2 Zr6 Hg4 Pd8' _cell_volume 379.42407742 _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 Hf Hf0 1 0.81525244 0.81525244 0.50000000 1.0 Hf Hf1 1 0.18474756 0.18474756 0.50000000 1.0 Zr Zr2 1 0.15588888 0.15588888 0.00000000 1.0 Zr Zr3 1 0.84411112 0.84411112 0.00000000 1.0 Zr Zr4 1 0.65558675 0.34441325 0.50000000 1.0 Zr Zr5 1 0.34441325 0.65558675 0.50000000 1.0 Zr Zr6 1 0.68644780 0.31355220 0.00000000 1.0 Zr Zr7 1 0.31355220 0.68644780 0.00000000 1.0 Hg Hg8 1 0.50000000 0.00000000 0.24972015 1.0 Hg Hg9 1 0.50000000 0.00000000 0.75027985 1.0 Hg Hg10 1 0.00000000 0.50000000 0.24972015 1.0 Hg Hg11 1 0.00000000 0.50000000 0.75027985 1.0 Pd Pd12 1 0.37100400 0.37100400 0.22111655 1.0 Pd Pd13 1 0.62899600 0.62899600 0.77888345 1.0 Pd Pd14 1 0.62899600 0.62899600 0.22111655 1.0 Pd Pd15 1 0.87245832 0.12754168 0.71643567 1.0 Pd Pd16 1 0.87245832 0.12754168 0.28356433 1.0 Pd Pd17 1 0.37100400 0.37100400 0.77888345 1.0 Pd Pd18 1 0.12754168 0.87245832 0.28356433 1.0 Pd Pd19 1 0.12754168 0.87245832 0.71643567 1.0