# generated using pymatgen data_Ba14Na14MgN6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.62628650 _cell_length_b 12.62628606 _cell_length_c 12.62628706 _cell_angle_alpha 60.00000009 _cell_angle_beta 60.00000125 _cell_angle_gamma 60.00000124 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba14Na14MgN6 _chemical_formula_sum 'Ba14 Na14 Mg1 N6' _cell_volume 1423.35074766 _cell_formula_units_Z 1 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 Ba Ba0 1 0.89504947 0.89504947 0.89504947 1.0 Ba Ba1 1 0.68514942 0.10495053 0.10495053 1.0 Ba Ba2 1 0.10495053 0.10495053 0.68514942 1.0 Ba Ba3 1 0.10495053 0.68514942 0.10495053 1.0 Ba Ba4 1 0.89504947 0.89504947 0.31485058 1.0 Ba Ba5 1 0.89504947 0.31485058 0.89504947 1.0 Ba Ba6 1 0.31485058 0.89504947 0.89504947 1.0 Ba Ba7 1 0.10495053 0.10495053 0.10495053 1.0 Ba Ba8 1 0.28378794 0.71621206 0.28378794 1.0 Ba Ba9 1 0.71621206 0.71621206 0.28378794 1.0 Ba Ba10 1 0.28378794 0.28378794 0.71621206 1.0 Ba Ba11 1 0.28378794 0.71621206 0.71621206 1.0 Ba Ba12 1 0.71621206 0.28378794 0.28378794 1.0 Ba Ba13 1 0.71621206 0.28378794 0.71621206 1.0 Na Na14 1 0.67155558 0.67155558 0.67155558 1.0 Na Na15 1 0.01466575 0.32844442 0.32844442 1.0 Na Na16 1 0.32844442 0.32844442 0.01466575 1.0 Na Na17 1 0.32844442 0.01466575 0.32844442 1.0 Na Na18 1 0.67155558 0.67155558 0.98533425 1.0 Na Na19 1 0.67155558 0.98533425 0.67155558 1.0 Na Na20 1 0.98533425 0.67155558 0.67155558 1.0 Na Na21 1 0.32844442 0.32844442 0.32844442 1.0 Na Na22 1 0.50000000 0.00000000 0.00000000 1.0 Na Na23 1 0.00000000 0.50000000 0.50000000 1.0 Na Na24 1 0.00000000 0.50000000 0.00000000 1.0 Na Na25 1 0.50000000 0.00000000 0.50000000 1.0 Na Na26 1 0.50000000 0.50000000 0.00000000 1.0 Na Na27 1 0.00000000 0.00000000 0.50000000 1.0 Mg Mg28 1 0.00000000 0.00000000 0.00000000 1.0 N N29 1 0.14023305 0.85976695 0.14023305 1.0 N N30 1 0.85976695 0.85976695 0.14023305 1.0 N N31 1 0.14023305 0.14023305 0.85976695 1.0 N N32 1 0.14023305 0.85976695 0.85976695 1.0 N N33 1 0.85976695 0.14023305 0.14023305 1.0 N N34 1 0.85976695 0.14023305 0.85976695 1.0