# generated using pymatgen data_Ba14Na15N6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.71052213 _cell_length_b 12.71052284 _cell_length_c 12.71052262 _cell_angle_alpha 60.00000322 _cell_angle_beta 60.00000137 _cell_angle_gamma 60.00000429 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba14Na15N6 _chemical_formula_sum 'Ba14 Na15 N6' _cell_volume 1452.02885181 _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 0.89691542 0.30925274 0.89691542 1.0 Ba Ba1 1 0.89691542 0.89691542 0.89691542 1.0 Ba Ba2 1 0.71248609 0.28751391 0.71248609 1.0 Ba Ba3 1 0.28751391 0.28751391 0.71248609 1.0 Ba Ba4 1 0.71248609 0.28751391 0.28751391 1.0 Ba Ba5 1 0.89691542 0.89691542 0.30925274 1.0 Ba Ba6 1 0.28751391 0.71248609 0.71248609 1.0 Ba Ba7 1 0.30925274 0.89691542 0.89691542 1.0 Ba Ba8 1 0.28751391 0.71248609 0.28751391 1.0 Ba Ba9 1 0.10308458 0.10308458 0.10308458 1.0 Ba Ba10 1 0.71248609 0.71248609 0.28751391 1.0 Ba Ba11 1 0.10308458 0.69074726 0.10308458 1.0 Ba Ba12 1 0.69074726 0.10308458 0.10308458 1.0 Ba Ba13 1 0.10308458 0.10308458 0.69074726 1.0 Na Na14 1 0.67295683 0.67295683 0.98112952 1.0 Na Na15 1 0.01887048 0.32704317 0.32704317 1.0 Na Na16 1 0.50000000 0.50000000 0.00000000 1.0 Na Na17 1 0.32704317 0.32704317 0.01887048 1.0 Na Na18 1 0.67295683 0.67295683 0.67295683 1.0 Na Na19 1 0.67295683 0.98112952 0.67295683 1.0 Na Na20 1 0.98112952 0.67295683 0.67295683 1.0 Na Na21 1 0.32704317 0.01887048 0.32704317 1.0 Na Na22 1 0.50000000 0.00000000 0.50000000 1.0 Na Na23 1 0.32704317 0.32704317 0.32704317 1.0 Na Na24 1 0.00000000 0.50000000 0.50000000 1.0 Na Na25 1 0.00000000 0.00000000 0.50000000 1.0 Na Na26 1 0.00000000 0.50000000 0.00000000 1.0 Na Na27 1 0.50000000 0.00000000 0.00000000 1.0 Na Na28 1 0.00000000 0.00000000 0.00000000 1.0 N N29 1 0.14882543 0.85117457 0.14882543 1.0 N N30 1 0.14882543 0.85117457 0.85117457 1.0 N N31 1 0.85117457 0.85117457 0.14882543 1.0 N N32 1 0.85117457 0.14882543 0.85117457 1.0 N N33 1 0.85117457 0.14882543 0.14882543 1.0 N N34 1 0.14882543 0.14882543 0.85117457 1.0