# generated using pymatgen data_KMg6B _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10712400 _cell_length_b 6.48889500 _cell_length_c 19.63881400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KMg6B _chemical_formula_sum 'K2 Mg12 B2' _cell_volume 395.95386736 _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 0.28343400 1.0 K K1 1 0.00000000 0.00000000 0.78343400 1.0 Mg Mg2 1 0.00000000 0.25909000 0.09907700 1.0 Mg Mg3 1 0.00000000 0.74091000 0.09907700 1.0 Mg Mg4 1 0.00000000 0.00000000 0.34512500 1.0 Mg Mg5 1 0.50000000 0.74992800 0.45766100 1.0 Mg Mg6 1 0.50000000 0.25007200 0.45766100 1.0 Mg Mg7 1 0.50000000 0.00000000 0.20835000 1.0 Mg Mg8 1 0.00000000 0.75909000 0.59907700 1.0 Mg Mg9 1 0.00000000 0.24091000 0.59907700 1.0 Mg Mg10 1 0.00000000 0.50000000 0.84512500 1.0 Mg Mg11 1 0.50000000 0.24992800 0.95766100 1.0 Mg Mg12 1 0.50000000 0.75007200 0.95766100 1.0 Mg Mg13 1 0.50000000 0.50000000 0.70835000 1.0 B B14 1 0.50000000 0.50000000 0.04961500 1.0 B B15 1 0.50000000 0.00000000 0.54961500 1.0