# generated using pymatgen data_Zr2Be2Au _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.39373674 _cell_length_b 6.39373674 _cell_length_c 3.83298105 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2Be2Au _chemical_formula_sum 'Zr4 Be4 Au2' _cell_volume 156.69176517 _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 Zr Zr0 1 0.32822394 0.17177706 0.49999900 1.0 Zr Zr1 1 0.82822394 0.32822394 0.49999900 1.0 Zr Zr2 1 0.17177706 0.67177706 0.49999900 1.0 Zr Zr3 1 0.67177706 0.82822394 0.49999900 1.0 Be Be4 1 0.62396121 0.12396121 0.00000000 1.0 Be Be5 1 0.12396121 0.37603779 0.00000000 1.0 Be Be6 1 0.87603879 0.62396121 0.00000000 1.0 Be Be7 1 0.37603779 0.87603879 0.00000000 1.0 Au Au8 1 0.00000000 0.00000000 0.00000000 1.0 Au Au9 1 0.50000000 0.50000000 0.00000000 1.0