# generated using pymatgen data_Mg6ZrZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94650500 _cell_length_b 6.25904100 _cell_length_c 11.14272900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg6ZrZn _chemical_formula_sum 'Mg12 Zr2 Zn2' _cell_volume 344.98309735 _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 Mg Mg0 1 0.00000000 0.74576400 0.08226600 1.0 Mg Mg1 1 0.00000000 0.25423600 0.08226600 1.0 Mg Mg2 1 0.00000000 0.00000000 0.32881500 1.0 Mg Mg3 1 0.50000000 0.25474300 0.42132000 1.0 Mg Mg4 1 0.50000000 0.74525700 0.42132000 1.0 Mg Mg5 1 0.50000000 0.00000000 0.16800700 1.0 Mg Mg6 1 0.00000000 0.24576400 0.58226600 1.0 Mg Mg7 1 0.00000000 0.75423600 0.58226600 1.0 Mg Mg8 1 0.00000000 0.50000000 0.82881500 1.0 Mg Mg9 1 0.50000000 0.75474300 0.92132000 1.0 Mg Mg10 1 0.50000000 0.24525700 0.92132000 1.0 Mg Mg11 1 0.50000000 0.50000000 0.66800700 1.0 Zr Zr12 1 0.50000000 0.50000000 0.17791600 1.0 Zr Zr13 1 0.50000000 0.00000000 0.67791600 1.0 Zn Zn14 1 0.00000000 0.50000000 0.31809100 1.0 Zn Zn15 1 0.00000000 0.00000000 0.81809100 1.0