# generated using pymatgen data_Ba2Li3Zn23 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.59931672 _cell_length_b 8.58443877 _cell_length_c 8.62202155 _cell_angle_alpha 59.96943485 _cell_angle_beta 60.41582083 _cell_angle_gamma 60.23217106 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Li3Zn23 _chemical_formula_sum 'Ba2 Li3 Zn23' _cell_volume 452.14308325 _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 0.75119160 0.74994906 0.74948256 1.0 Ba Ba1 1 0.25051744 0.25062322 0.24880840 1.0 Li Li2 1 0.43505734 0.79844599 0.56494266 1.0 Li Li3 1 0.00112777 0.00000189 0.99887223 1.0 Li Li4 1 0.50040342 0.49886465 0.49959658 1.0 Zn Zn5 1 0.06045365 0.94088591 0.70419524 1.0 Zn Zn6 1 0.56024480 0.43989905 0.79755457 1.0 Zn Zn7 1 0.79322200 0.56336761 0.43843614 1.0 Zn Zn8 1 0.20244543 0.79769943 0.43975520 1.0 Zn Zn9 1 0.70507041 0.05941401 0.93856065 1.0 Zn Zn10 1 0.44117527 0.55826011 0.20327168 1.0 Zn Zn11 1 0.70593829 0.93642246 0.29406171 1.0 Zn Zn12 1 0.44006039 0.20412656 0.79741219 1.0 Zn Zn13 1 0.94090122 0.70266470 0.05909878 1.0 Zn Zn14 1 0.06041616 0.29891379 0.93958384 1.0 Zn Zn15 1 0.93866815 0.29851367 0.70178367 1.0 Zn Zn16 1 0.70566903 0.29347028 0.06070121 1.0 Zn Zn17 1 0.20258781 0.44160015 0.55993961 1.0 Zn Zn18 1 0.79619792 0.43878880 0.20380208 1.0 Zn Zn19 1 0.29580476 0.70553580 0.93954635 1.0 Zn Zn20 1 0.06143935 0.70304507 0.29492959 1.0 Zn Zn21 1 0.56156386 0.79502575 0.20677800 1.0 Zn Zn22 1 0.29821633 0.93896549 0.06133185 1.0 Zn Zn23 1 0.20730361 0.56359082 0.79269639 1.0 Zn Zn24 1 0.29119596 0.06297392 0.70880404 1.0 Zn Zn25 1 0.79672832 0.20270705 0.55882473 1.0 Zn Zn26 1 0.93929879 0.05984053 0.29433097 1.0 Zn Zn27 1 0.55710092 0.19640722 0.44289908 1.0