# generated using pymatgen data_KHfMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20644900 _cell_length_b 6.71612400 _cell_length_c 11.45667800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KHfMg6 _chemical_formula_sum 'K2 Hf2 Mg12' _cell_volume 400.60745928 _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 K K0 1 0.00000000 0.50000000 0.41070500 1.0 K K1 1 0.00000000 0.00000000 0.91070500 1.0 Hf Hf2 1 0.50000000 0.50000000 0.08646900 1.0 Hf Hf3 1 0.50000000 0.00000000 0.58646900 1.0 Mg Mg4 1 0.00000000 0.25742400 0.16014200 1.0 Mg Mg5 1 0.00000000 0.74257600 0.16014200 1.0 Mg Mg6 1 0.00000000 0.50000000 0.92589300 1.0 Mg Mg7 1 0.50000000 0.26941500 0.83234100 1.0 Mg Mg8 1 0.50000000 0.73058500 0.83234100 1.0 Mg Mg9 1 0.50000000 0.50000000 0.59196600 1.0 Mg Mg10 1 0.00000000 0.75742400 0.66014200 1.0 Mg Mg11 1 0.00000000 0.24257600 0.66014200 1.0 Mg Mg12 1 0.00000000 0.00000000 0.42589300 1.0 Mg Mg13 1 0.50000000 0.76941500 0.33234100 1.0 Mg Mg14 1 0.50000000 0.23058500 0.33234100 1.0 Mg Mg15 1 0.50000000 0.00000000 0.09196600 1.0