# generated using pymatgen data_NaLi(Ta2B5)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.14304949 _cell_length_b 6.98276211 _cell_length_c 7.34982084 _cell_angle_alpha 93.97997014 _cell_angle_beta 102.05512884 _cell_angle_gamma 116.02235113 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaLi(Ta2B5)4 _chemical_formula_sum 'Na1 Li1 Ta8 B20' _cell_volume 272.37309432 _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 Na Na0 1 0.00120104 0.60404624 0.80291560 1.0 Li Li1 1 0.99761447 0.99136969 0.99373845 1.0 Ta Ta2 1 0.50023798 0.99847863 0.00162425 1.0 Ta Ta3 1 0.50072325 0.80128540 0.40012340 1.0 Ta Ta4 1 0.99824535 0.39546216 0.20043844 1.0 Ta Ta5 1 0.50204776 0.20294971 0.60013172 1.0 Ta Ta6 1 0.00043252 0.80102732 0.40057512 1.0 Ta Ta7 1 0.50038884 0.60136723 0.79956279 1.0 Ta Ta8 1 0.49702099 0.39693747 0.19973257 1.0 Ta Ta9 1 0.00181910 0.20448391 0.59887786 1.0 B B10 1 0.32986498 0.22951371 0.87044796 1.0 B B11 1 0.33156402 0.63153487 0.06730222 1.0 B B12 1 0.16584671 0.36336860 0.93629505 1.0 B B13 1 0.32870559 0.03172113 0.26170051 1.0 B B14 1 0.16474308 0.76707490 0.13306205 1.0 B B15 1 0.83378997 0.23124613 0.86755596 1.0 B B16 1 0.16460625 0.16516676 0.32754492 1.0 B B17 1 0.83410893 0.63453214 0.06629493 1.0 B B18 1 0.33379735 0.43473119 0.46473197 1.0 B B19 1 0.66724922 0.36774959 0.93243863 1.0 B B20 1 0.83423519 0.03191313 0.26137659 1.0 B B21 1 0.66924740 0.76790406 0.13077992 1.0 B B22 1 0.33387913 0.83498888 0.66779053 1.0 B B23 1 0.16751044 0.56907443 0.53538194 1.0 B B24 1 0.66586801 0.16533413 0.33461939 1.0 B B25 1 0.83423847 0.43470855 0.46869330 1.0 B B26 1 0.16591988 0.96834904 0.73551471 1.0 B B27 1 0.83518953 0.83590433 0.66898690 1.0 B B28 1 0.66886989 0.56956977 0.53511186 1.0 B B29 1 0.67103566 0.96820889 0.73665347 1.0