# generated using pymatgen data_Li3Ta7B20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.08854498 _cell_length_b 6.94154425 _cell_length_c 7.34146543 _cell_angle_alpha 94.24729161 _cell_angle_beta 101.99150867 _cell_angle_gamma 116.03536918 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li3Ta7B20 _chemical_formula_sum 'Li3 Ta7 B20' _cell_volume 267.84536970 _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 Li Li0 1 0.99958301 0.99292493 0.99483895 1.0 Li Li1 1 0.49269236 0.99444611 0.99412325 1.0 Li Li2 1 0.00947288 0.61341951 0.81043587 1.0 Ta Ta3 1 0.49861578 0.79740437 0.40230768 1.0 Ta Ta4 1 0.99614989 0.39252509 0.20068812 1.0 Ta Ta5 1 0.50369166 0.20640321 0.59970832 1.0 Ta Ta6 1 0.99913860 0.79785451 0.39979718 1.0 Ta Ta7 1 0.50238307 0.60490779 0.79793028 1.0 Ta Ta8 1 0.49620746 0.39379887 0.19865675 1.0 Ta Ta9 1 0.00222163 0.20624791 0.59857251 1.0 B B10 1 0.33258956 0.23069414 0.86966214 1.0 B B11 1 0.33204256 0.63398100 0.06436296 1.0 B B12 1 0.16551021 0.36635113 0.93272748 1.0 B B13 1 0.32952756 0.02758055 0.26190562 1.0 B B14 1 0.16436474 0.76124926 0.13538565 1.0 B B15 1 0.83381653 0.23496753 0.86483519 1.0 B B16 1 0.16250485 0.16183115 0.32538403 1.0 B B17 1 0.83432770 0.63525073 0.06299800 1.0 B B18 1 0.33337158 0.43411610 0.46510794 1.0 B B19 1 0.66726959 0.36686682 0.93290062 1.0 B B20 1 0.82954634 0.02825728 0.26407066 1.0 B B21 1 0.66503851 0.76563889 0.13062682 1.0 B B22 1 0.33558530 0.83771026 0.67212760 1.0 B B23 1 0.16701158 0.56967606 0.54072851 1.0 B B24 1 0.66220207 0.16180093 0.32777803 1.0 B B25 1 0.83499581 0.43479728 0.47094073 1.0 B B26 1 0.16807061 0.97078667 0.73079340 1.0 B B27 1 0.83936256 0.83772751 0.67351191 1.0 B B28 1 0.67313373 0.57021961 0.54033581 1.0 B B29 1 0.66956925 0.97056380 0.73676098 1.0