# generated using pymatgen data_KBaMg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23581700 _cell_length_b 6.90923700 _cell_length_c 14.14926100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural KBaMg6 _chemical_formula_sum 'K2 Ba2 Mg12' _cell_volume 511.85659897 _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 0.50000000 0.00000000 0.17807100 1.0 K K1 1 0.50000000 0.50000000 0.67807100 1.0 Ba Ba2 1 0.50000000 0.50000000 0.17412100 1.0 Ba Ba3 1 0.50000000 0.00000000 0.67412100 1.0 Mg Mg4 1 0.50000000 0.25689700 0.42333700 1.0 Mg Mg5 1 0.50000000 0.74310300 0.42333700 1.0 Mg Mg6 1 0.00000000 0.74815600 0.04370700 1.0 Mg Mg7 1 0.00000000 0.25184400 0.04370700 1.0 Mg Mg8 1 0.00000000 0.00000000 0.35738600 1.0 Mg Mg9 1 0.00000000 0.50000000 0.35632900 1.0 Mg Mg10 1 0.50000000 0.75689700 0.92333700 1.0 Mg Mg11 1 0.50000000 0.24310300 0.92333700 1.0 Mg Mg12 1 0.00000000 0.24815600 0.54370700 1.0 Mg Mg13 1 0.00000000 0.75184400 0.54370700 1.0 Mg Mg14 1 0.00000000 0.50000000 0.85738600 1.0 Mg Mg15 1 0.00000000 0.00000000 0.85632900 1.0