# generated using pymatgen data_KLiZn12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.56813127 _cell_length_b 8.56813104 _cell_length_c 8.56813098 _cell_angle_alpha 60.00000024 _cell_angle_beta 60.00000112 _cell_angle_gamma 59.99999565 _symmetry_Int_Tables_number 1 _chemical_formula_structural KLiZn12 _chemical_formula_sum 'K2 Li2 Zn24' _cell_volume 444.77800367 _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 0.25000000 0.25000000 0.25000000 1.0 K K1 1 0.75000000 0.75000000 0.75000000 1.0 Li Li2 1 0.00000000 0.00000000 0.00000000 1.0 Li Li3 1 0.50000000 0.50000000 0.50000000 1.0 Zn Zn4 1 0.43852609 0.20283229 0.79716771 1.0 Zn Zn5 1 0.93852609 0.70283229 0.06147391 1.0 Zn Zn6 1 0.70283229 0.93852609 0.29716771 1.0 Zn Zn7 1 0.29716771 0.70283229 0.93852609 1.0 Zn Zn8 1 0.93852609 0.06147391 0.29716771 1.0 Zn Zn9 1 0.70283229 0.06147391 0.93852609 1.0 Zn Zn10 1 0.29716771 0.93852609 0.06147391 1.0 Zn Zn11 1 0.79716771 0.43852609 0.20283229 1.0 Zn Zn12 1 0.20283229 0.79716771 0.43852609 1.0 Zn Zn13 1 0.43852609 0.56147391 0.20283229 1.0 Zn Zn14 1 0.43852609 0.79716771 0.56147391 1.0 Zn Zn15 1 0.20283229 0.56147391 0.79716771 1.0 Zn Zn16 1 0.56147391 0.43852609 0.79716771 1.0 Zn Zn17 1 0.56147391 0.20283229 0.43852609 1.0 Zn Zn18 1 0.79716771 0.20283229 0.56147391 1.0 Zn Zn19 1 0.06147391 0.93852609 0.70283229 1.0 Zn Zn20 1 0.06147391 0.29716771 0.93852609 1.0 Zn Zn21 1 0.93852609 0.29716771 0.70283229 1.0 Zn Zn22 1 0.06147391 0.70283229 0.29716771 1.0 Zn Zn23 1 0.29716771 0.06147391 0.70283229 1.0 Zn Zn24 1 0.70283229 0.29716771 0.06147391 1.0 Zn Zn25 1 0.20283229 0.43852609 0.56147391 1.0 Zn Zn26 1 0.79716771 0.56147391 0.43852609 1.0 Zn Zn27 1 0.56147391 0.79716771 0.20283229 1.0