# generated using pymatgen data_Zr6BeZn20Pd3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.69572758 _cell_length_b 8.69572723 _cell_length_c 8.65701995 _cell_angle_alpha 60.14714255 _cell_angle_beta 60.14714388 _cell_angle_gamma 59.70572000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr6BeZn20Pd3 _chemical_formula_sum 'Zr6 Be1 Zn20 Pd3' _cell_volume 462.85839023 _cell_formula_units_Z 1 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 0.70361894 0.29638106 0.29638106 1.0 Zr Zr1 1 0.29638106 0.70361894 0.70361894 1.0 Zr Zr2 1 0.29638106 0.70361894 0.29638106 1.0 Zr Zr3 1 0.70361894 0.29638106 0.70361894 1.0 Zr Zr4 1 0.29587900 0.29587900 0.70412100 1.0 Zr Zr5 1 0.70412100 0.70412100 0.29587900 1.0 Be Be6 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn7 1 0.12137156 0.12137156 0.12363899 1.0 Zn Zn8 1 0.87862844 0.87862844 0.87636101 1.0 Zn Zn9 1 0.12137156 0.12137156 0.63361789 1.0 Zn Zn10 1 0.12363899 0.63361789 0.12137156 1.0 Zn Zn11 1 0.87862844 0.87862844 0.36638211 1.0 Zn Zn12 1 0.87636101 0.36638211 0.87862844 1.0 Zn Zn13 1 0.63361789 0.12363899 0.12137156 1.0 Zn Zn14 1 0.36638211 0.87636101 0.87862844 1.0 Zn Zn15 1 0.50000000 0.00000000 0.00000000 1.0 Zn Zn16 1 0.00000000 0.50000000 0.50000000 1.0 Zn Zn17 1 0.00000000 0.50000000 0.00000000 1.0 Zn Zn18 1 0.50000000 0.00000000 0.50000000 1.0 Zn Zn19 1 0.33518922 0.33518922 0.33666916 1.0 Zn Zn20 1 0.66481078 0.66481078 0.66333084 1.0 Zn Zn21 1 0.33518922 0.33518922 0.99295440 1.0 Zn Zn22 1 0.33666916 0.99295440 0.33518922 1.0 Zn Zn23 1 0.66481078 0.66481078 0.00704560 1.0 Zn Zn24 1 0.66333084 0.00704560 0.66481078 1.0 Zn Zn25 1 0.99295440 0.33666916 0.33518922 1.0 Zn Zn26 1 0.00704560 0.66333084 0.66481078 1.0 Pd Pd27 1 0.00000000 0.00000000 0.50000000 1.0 Pd Pd28 1 0.50000000 0.50000000 0.00000000 1.0 Pd Pd29 1 0.00000000 0.00000000 0.00000000 1.0